On downscaling of the tantalum oxides from three to zero dimensions
Considering the recent interests in device miniaturization prompted by developments in nanotechnology, study of changes in physical properties of electronic materials upon downscaling to lower dimensions has become more important. This study is aimed at investigating the structural and electronic pr...
Ausführliche Beschreibung
Gespeichert in:
| Autor*in: |
Jabeen, Alia [verfasserIn] |
|---|
| Format: |
E-Artikel |
|---|---|
| Sprache: |
Englisch |
| Erschienen: |
2022transfer abstract |
|---|
| Schlagwörter: |
|---|
| Übergeordnetes Werk: |
Enthalten in: Thermal and mechanical characterization of fly ash geopolymer with aluminium chloride and potassium hydroxide treated hemp shiv lightweight aggregate - Narattha, Chalermphan ELSEVIER, 2022, Amsterdam [u.a.] |
|---|---|
| Übergeordnetes Werk: |
volume:151 ; year:2022 ; day:15 ; month:11 ; pages:0 |
| Links: |
|---|
| DOI / URN: |
10.1016/j.mssp.2022.107014 |
|---|
| Katalog-ID: |
ELV058787291 |
|---|
| LEADER | 01000caa a22002652 4500 | ||
|---|---|---|---|
| 001 | ELV058787291 | ||
| 003 | DE-627 | ||
| 005 | 20230626051604.0 | ||
| 007 | cr uuu---uuuuu | ||
| 008 | 221103s2022 xx |||||o 00| ||eng c | ||
| 024 | 7 | |a 10.1016/j.mssp.2022.107014 |2 doi | |
| 028 | 5 | 2 | |a /cbs_pica/cbs_olc/import_discovery/elsevier/einzuspielen/GBV00000000001887.pica |
| 035 | |a (DE-627)ELV058787291 | ||
| 035 | |a (ELSEVIER)S1369-8001(22)00543-1 | ||
| 040 | |a DE-627 |b ger |c DE-627 |e rakwb | ||
| 041 | |a eng | ||
| 082 | 0 | 4 | |a 690 |q VZ |
| 084 | |a 56.45 |2 bkl | ||
| 100 | 1 | |a Jabeen, Alia |e verfasserin |4 aut | |
| 245 | 1 | 0 | |a On downscaling of the tantalum oxides from three to zero dimensions |
| 264 | 1 | |c 2022transfer abstract | |
| 336 | |a nicht spezifiziert |b zzz |2 rdacontent | ||
| 337 | |a nicht spezifiziert |b z |2 rdamedia | ||
| 338 | |a nicht spezifiziert |b zu |2 rdacarrier | ||
| 520 | |a Considering the recent interests in device miniaturization prompted by developments in nanotechnology, study of changes in physical properties of electronic materials upon downscaling to lower dimensions has become more important. This study is aimed at investigating the structural and electronic properties of the tantalum oxides ( TaO , TaO 2 , Ta 2 O 3 , TaO 3 ) in the bulk and lower dimensions of slab, chains and clusters. The predictions pointed out that T a O , TaO2 and Ta2O3 prefer to crystallize in bulk whereas TaO3 stabilizes in form of clusters. The bulk, slab, chains and clusters of TaO exhibit metallic character due to d-electrons at Fermi level. The bulk, slab and clusters of TaO 2 offers the metallic character due to the presence of major contribution of Ta-d states at Fermi level, while the chains appeared as narrow-gap semiconductor which points to a transition from metallic to semiconducting character on downscaling. The bulk and chains of TaO3 exhibited metallic behavior due to presence of p-states on Fermi level, while the clusters are semiconductors having band gap 2.6 eV. Ta2O3 in bulk, slab and chains show metallic character due to presence of d-states of Ta at Fermi level, while the clusters possess the semiconducting nature. In general, the transition from metallic to semiconducting character is observed upon the downscaling. This study gives the valuable predictions for the future usage of these materials in several electronic applications and devices. | ||
| 520 | |a Considering the recent interests in device miniaturization prompted by developments in nanotechnology, study of changes in physical properties of electronic materials upon downscaling to lower dimensions has become more important. This study is aimed at investigating the structural and electronic properties of the tantalum oxides ( TaO , TaO 2 , Ta 2 O 3 , TaO 3 ) in the bulk and lower dimensions of slab, chains and clusters. The predictions pointed out that T a O , TaO2 and Ta2O3 prefer to crystallize in bulk whereas TaO3 stabilizes in form of clusters. The bulk, slab, chains and clusters of TaO exhibit metallic character due to d-electrons at Fermi level. The bulk, slab and clusters of TaO 2 offers the metallic character due to the presence of major contribution of Ta-d states at Fermi level, while the chains appeared as narrow-gap semiconductor which points to a transition from metallic to semiconducting character on downscaling. The bulk and chains of TaO3 exhibited metallic behavior due to presence of p-states on Fermi level, while the clusters are semiconductors having band gap 2.6 eV. Ta2O3 in bulk, slab and chains show metallic character due to presence of d-states of Ta at Fermi level, while the clusters possess the semiconducting nature. In general, the transition from metallic to semiconducting character is observed upon the downscaling. This study gives the valuable predictions for the future usage of these materials in several electronic applications and devices. | ||
| 650 | 7 | |a 1D metal oxides |2 Elsevier | |
| 650 | 7 | |a Structural and electronic properties |2 Elsevier | |
| 650 | 7 | |a Formation energy analysis |2 Elsevier | |
| 650 | 7 | |a Tantalum oxides |2 Elsevier | |
| 650 | 7 | |a 0D metal oxides |2 Elsevier | |
| 650 | 7 | |a Density functional theory |2 Elsevier | |
| 650 | 7 | |a 3D metal oxides |2 Elsevier | |
| 650 | 7 | |a 2D metal oxides |2 Elsevier | |
| 650 | 7 | |a Nanotechnology |2 Elsevier | |
| 700 | 1 | |a Alkhedher, Mohammad |4 oth | |
| 700 | 1 | |a Majid, Abdul |4 oth | |
| 700 | 1 | |a Al Hassan, Najam |4 oth | |
| 773 | 0 | 8 | |i Enthalten in |n Elsevier Science |a Narattha, Chalermphan ELSEVIER |t Thermal and mechanical characterization of fly ash geopolymer with aluminium chloride and potassium hydroxide treated hemp shiv lightweight aggregate |d 2022 |g Amsterdam [u.a.] |w (DE-627)ELV007709056 |
| 773 | 1 | 8 | |g volume:151 |g year:2022 |g day:15 |g month:11 |g pages:0 |
| 856 | 4 | 0 | |u https://doi.org/10.1016/j.mssp.2022.107014 |3 Volltext |
| 912 | |a GBV_USEFLAG_U | ||
| 912 | |a GBV_ELV | ||
| 912 | |a SYSFLAG_U | ||
| 936 | b | k | |a 56.45 |j Baustoffkunde |q VZ |
| 951 | |a AR | ||
| 952 | |d 151 |j 2022 |b 15 |c 1115 |h 0 | ||
| author_variant |
a j aj |
|---|---|
| matchkey_str |
jabeenaliaalkhedhermohammadmajidabdulalh:2022----:nonclnoteatlmxdsrmhet |
| hierarchy_sort_str |
2022transfer abstract |
| bklnumber |
56.45 |
| publishDate |
2022 |
| allfields |
10.1016/j.mssp.2022.107014 doi /cbs_pica/cbs_olc/import_discovery/elsevier/einzuspielen/GBV00000000001887.pica (DE-627)ELV058787291 (ELSEVIER)S1369-8001(22)00543-1 DE-627 ger DE-627 rakwb eng 690 VZ 56.45 bkl Jabeen, Alia verfasserin aut On downscaling of the tantalum oxides from three to zero dimensions 2022transfer abstract nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier Considering the recent interests in device miniaturization prompted by developments in nanotechnology, study of changes in physical properties of electronic materials upon downscaling to lower dimensions has become more important. This study is aimed at investigating the structural and electronic properties of the tantalum oxides ( TaO , TaO 2 , Ta 2 O 3 , TaO 3 ) in the bulk and lower dimensions of slab, chains and clusters. The predictions pointed out that T a O , TaO2 and Ta2O3 prefer to crystallize in bulk whereas TaO3 stabilizes in form of clusters. The bulk, slab, chains and clusters of TaO exhibit metallic character due to d-electrons at Fermi level. The bulk, slab and clusters of TaO 2 offers the metallic character due to the presence of major contribution of Ta-d states at Fermi level, while the chains appeared as narrow-gap semiconductor which points to a transition from metallic to semiconducting character on downscaling. The bulk and chains of TaO3 exhibited metallic behavior due to presence of p-states on Fermi level, while the clusters are semiconductors having band gap 2.6 eV. Ta2O3 in bulk, slab and chains show metallic character due to presence of d-states of Ta at Fermi level, while the clusters possess the semiconducting nature. In general, the transition from metallic to semiconducting character is observed upon the downscaling. This study gives the valuable predictions for the future usage of these materials in several electronic applications and devices. Considering the recent interests in device miniaturization prompted by developments in nanotechnology, study of changes in physical properties of electronic materials upon downscaling to lower dimensions has become more important. This study is aimed at investigating the structural and electronic properties of the tantalum oxides ( TaO , TaO 2 , Ta 2 O 3 , TaO 3 ) in the bulk and lower dimensions of slab, chains and clusters. The predictions pointed out that T a O , TaO2 and Ta2O3 prefer to crystallize in bulk whereas TaO3 stabilizes in form of clusters. The bulk, slab, chains and clusters of TaO exhibit metallic character due to d-electrons at Fermi level. The bulk, slab and clusters of TaO 2 offers the metallic character due to the presence of major contribution of Ta-d states at Fermi level, while the chains appeared as narrow-gap semiconductor which points to a transition from metallic to semiconducting character on downscaling. The bulk and chains of TaO3 exhibited metallic behavior due to presence of p-states on Fermi level, while the clusters are semiconductors having band gap 2.6 eV. Ta2O3 in bulk, slab and chains show metallic character due to presence of d-states of Ta at Fermi level, while the clusters possess the semiconducting nature. In general, the transition from metallic to semiconducting character is observed upon the downscaling. This study gives the valuable predictions for the future usage of these materials in several electronic applications and devices. 1D metal oxides Elsevier Structural and electronic properties Elsevier Formation energy analysis Elsevier Tantalum oxides Elsevier 0D metal oxides Elsevier Density functional theory Elsevier 3D metal oxides Elsevier 2D metal oxides Elsevier Nanotechnology Elsevier Alkhedher, Mohammad oth Majid, Abdul oth Al Hassan, Najam oth Enthalten in Elsevier Science Narattha, Chalermphan ELSEVIER Thermal and mechanical characterization of fly ash geopolymer with aluminium chloride and potassium hydroxide treated hemp shiv lightweight aggregate 2022 Amsterdam [u.a.] (DE-627)ELV007709056 volume:151 year:2022 day:15 month:11 pages:0 https://doi.org/10.1016/j.mssp.2022.107014 Volltext GBV_USEFLAG_U GBV_ELV SYSFLAG_U 56.45 Baustoffkunde VZ AR 151 2022 15 1115 0 |
| spelling |
10.1016/j.mssp.2022.107014 doi /cbs_pica/cbs_olc/import_discovery/elsevier/einzuspielen/GBV00000000001887.pica (DE-627)ELV058787291 (ELSEVIER)S1369-8001(22)00543-1 DE-627 ger DE-627 rakwb eng 690 VZ 56.45 bkl Jabeen, Alia verfasserin aut On downscaling of the tantalum oxides from three to zero dimensions 2022transfer abstract nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier Considering the recent interests in device miniaturization prompted by developments in nanotechnology, study of changes in physical properties of electronic materials upon downscaling to lower dimensions has become more important. This study is aimed at investigating the structural and electronic properties of the tantalum oxides ( TaO , TaO 2 , Ta 2 O 3 , TaO 3 ) in the bulk and lower dimensions of slab, chains and clusters. The predictions pointed out that T a O , TaO2 and Ta2O3 prefer to crystallize in bulk whereas TaO3 stabilizes in form of clusters. The bulk, slab, chains and clusters of TaO exhibit metallic character due to d-electrons at Fermi level. The bulk, slab and clusters of TaO 2 offers the metallic character due to the presence of major contribution of Ta-d states at Fermi level, while the chains appeared as narrow-gap semiconductor which points to a transition from metallic to semiconducting character on downscaling. The bulk and chains of TaO3 exhibited metallic behavior due to presence of p-states on Fermi level, while the clusters are semiconductors having band gap 2.6 eV. Ta2O3 in bulk, slab and chains show metallic character due to presence of d-states of Ta at Fermi level, while the clusters possess the semiconducting nature. In general, the transition from metallic to semiconducting character is observed upon the downscaling. This study gives the valuable predictions for the future usage of these materials in several electronic applications and devices. Considering the recent interests in device miniaturization prompted by developments in nanotechnology, study of changes in physical properties of electronic materials upon downscaling to lower dimensions has become more important. This study is aimed at investigating the structural and electronic properties of the tantalum oxides ( TaO , TaO 2 , Ta 2 O 3 , TaO 3 ) in the bulk and lower dimensions of slab, chains and clusters. The predictions pointed out that T a O , TaO2 and Ta2O3 prefer to crystallize in bulk whereas TaO3 stabilizes in form of clusters. The bulk, slab, chains and clusters of TaO exhibit metallic character due to d-electrons at Fermi level. The bulk, slab and clusters of TaO 2 offers the metallic character due to the presence of major contribution of Ta-d states at Fermi level, while the chains appeared as narrow-gap semiconductor which points to a transition from metallic to semiconducting character on downscaling. The bulk and chains of TaO3 exhibited metallic behavior due to presence of p-states on Fermi level, while the clusters are semiconductors having band gap 2.6 eV. Ta2O3 in bulk, slab and chains show metallic character due to presence of d-states of Ta at Fermi level, while the clusters possess the semiconducting nature. In general, the transition from metallic to semiconducting character is observed upon the downscaling. This study gives the valuable predictions for the future usage of these materials in several electronic applications and devices. 1D metal oxides Elsevier Structural and electronic properties Elsevier Formation energy analysis Elsevier Tantalum oxides Elsevier 0D metal oxides Elsevier Density functional theory Elsevier 3D metal oxides Elsevier 2D metal oxides Elsevier Nanotechnology Elsevier Alkhedher, Mohammad oth Majid, Abdul oth Al Hassan, Najam oth Enthalten in Elsevier Science Narattha, Chalermphan ELSEVIER Thermal and mechanical characterization of fly ash geopolymer with aluminium chloride and potassium hydroxide treated hemp shiv lightweight aggregate 2022 Amsterdam [u.a.] (DE-627)ELV007709056 volume:151 year:2022 day:15 month:11 pages:0 https://doi.org/10.1016/j.mssp.2022.107014 Volltext GBV_USEFLAG_U GBV_ELV SYSFLAG_U 56.45 Baustoffkunde VZ AR 151 2022 15 1115 0 |
| allfields_unstemmed |
10.1016/j.mssp.2022.107014 doi /cbs_pica/cbs_olc/import_discovery/elsevier/einzuspielen/GBV00000000001887.pica (DE-627)ELV058787291 (ELSEVIER)S1369-8001(22)00543-1 DE-627 ger DE-627 rakwb eng 690 VZ 56.45 bkl Jabeen, Alia verfasserin aut On downscaling of the tantalum oxides from three to zero dimensions 2022transfer abstract nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier Considering the recent interests in device miniaturization prompted by developments in nanotechnology, study of changes in physical properties of electronic materials upon downscaling to lower dimensions has become more important. This study is aimed at investigating the structural and electronic properties of the tantalum oxides ( TaO , TaO 2 , Ta 2 O 3 , TaO 3 ) in the bulk and lower dimensions of slab, chains and clusters. The predictions pointed out that T a O , TaO2 and Ta2O3 prefer to crystallize in bulk whereas TaO3 stabilizes in form of clusters. The bulk, slab, chains and clusters of TaO exhibit metallic character due to d-electrons at Fermi level. The bulk, slab and clusters of TaO 2 offers the metallic character due to the presence of major contribution of Ta-d states at Fermi level, while the chains appeared as narrow-gap semiconductor which points to a transition from metallic to semiconducting character on downscaling. The bulk and chains of TaO3 exhibited metallic behavior due to presence of p-states on Fermi level, while the clusters are semiconductors having band gap 2.6 eV. Ta2O3 in bulk, slab and chains show metallic character due to presence of d-states of Ta at Fermi level, while the clusters possess the semiconducting nature. In general, the transition from metallic to semiconducting character is observed upon the downscaling. This study gives the valuable predictions for the future usage of these materials in several electronic applications and devices. Considering the recent interests in device miniaturization prompted by developments in nanotechnology, study of changes in physical properties of electronic materials upon downscaling to lower dimensions has become more important. This study is aimed at investigating the structural and electronic properties of the tantalum oxides ( TaO , TaO 2 , Ta 2 O 3 , TaO 3 ) in the bulk and lower dimensions of slab, chains and clusters. The predictions pointed out that T a O , TaO2 and Ta2O3 prefer to crystallize in bulk whereas TaO3 stabilizes in form of clusters. The bulk, slab, chains and clusters of TaO exhibit metallic character due to d-electrons at Fermi level. The bulk, slab and clusters of TaO 2 offers the metallic character due to the presence of major contribution of Ta-d states at Fermi level, while the chains appeared as narrow-gap semiconductor which points to a transition from metallic to semiconducting character on downscaling. The bulk and chains of TaO3 exhibited metallic behavior due to presence of p-states on Fermi level, while the clusters are semiconductors having band gap 2.6 eV. Ta2O3 in bulk, slab and chains show metallic character due to presence of d-states of Ta at Fermi level, while the clusters possess the semiconducting nature. In general, the transition from metallic to semiconducting character is observed upon the downscaling. This study gives the valuable predictions for the future usage of these materials in several electronic applications and devices. 1D metal oxides Elsevier Structural and electronic properties Elsevier Formation energy analysis Elsevier Tantalum oxides Elsevier 0D metal oxides Elsevier Density functional theory Elsevier 3D metal oxides Elsevier 2D metal oxides Elsevier Nanotechnology Elsevier Alkhedher, Mohammad oth Majid, Abdul oth Al Hassan, Najam oth Enthalten in Elsevier Science Narattha, Chalermphan ELSEVIER Thermal and mechanical characterization of fly ash geopolymer with aluminium chloride and potassium hydroxide treated hemp shiv lightweight aggregate 2022 Amsterdam [u.a.] (DE-627)ELV007709056 volume:151 year:2022 day:15 month:11 pages:0 https://doi.org/10.1016/j.mssp.2022.107014 Volltext GBV_USEFLAG_U GBV_ELV SYSFLAG_U 56.45 Baustoffkunde VZ AR 151 2022 15 1115 0 |
| allfieldsGer |
10.1016/j.mssp.2022.107014 doi /cbs_pica/cbs_olc/import_discovery/elsevier/einzuspielen/GBV00000000001887.pica (DE-627)ELV058787291 (ELSEVIER)S1369-8001(22)00543-1 DE-627 ger DE-627 rakwb eng 690 VZ 56.45 bkl Jabeen, Alia verfasserin aut On downscaling of the tantalum oxides from three to zero dimensions 2022transfer abstract nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier Considering the recent interests in device miniaturization prompted by developments in nanotechnology, study of changes in physical properties of electronic materials upon downscaling to lower dimensions has become more important. This study is aimed at investigating the structural and electronic properties of the tantalum oxides ( TaO , TaO 2 , Ta 2 O 3 , TaO 3 ) in the bulk and lower dimensions of slab, chains and clusters. The predictions pointed out that T a O , TaO2 and Ta2O3 prefer to crystallize in bulk whereas TaO3 stabilizes in form of clusters. The bulk, slab, chains and clusters of TaO exhibit metallic character due to d-electrons at Fermi level. The bulk, slab and clusters of TaO 2 offers the metallic character due to the presence of major contribution of Ta-d states at Fermi level, while the chains appeared as narrow-gap semiconductor which points to a transition from metallic to semiconducting character on downscaling. The bulk and chains of TaO3 exhibited metallic behavior due to presence of p-states on Fermi level, while the clusters are semiconductors having band gap 2.6 eV. Ta2O3 in bulk, slab and chains show metallic character due to presence of d-states of Ta at Fermi level, while the clusters possess the semiconducting nature. In general, the transition from metallic to semiconducting character is observed upon the downscaling. This study gives the valuable predictions for the future usage of these materials in several electronic applications and devices. Considering the recent interests in device miniaturization prompted by developments in nanotechnology, study of changes in physical properties of electronic materials upon downscaling to lower dimensions has become more important. This study is aimed at investigating the structural and electronic properties of the tantalum oxides ( TaO , TaO 2 , Ta 2 O 3 , TaO 3 ) in the bulk and lower dimensions of slab, chains and clusters. The predictions pointed out that T a O , TaO2 and Ta2O3 prefer to crystallize in bulk whereas TaO3 stabilizes in form of clusters. The bulk, slab, chains and clusters of TaO exhibit metallic character due to d-electrons at Fermi level. The bulk, slab and clusters of TaO 2 offers the metallic character due to the presence of major contribution of Ta-d states at Fermi level, while the chains appeared as narrow-gap semiconductor which points to a transition from metallic to semiconducting character on downscaling. The bulk and chains of TaO3 exhibited metallic behavior due to presence of p-states on Fermi level, while the clusters are semiconductors having band gap 2.6 eV. Ta2O3 in bulk, slab and chains show metallic character due to presence of d-states of Ta at Fermi level, while the clusters possess the semiconducting nature. In general, the transition from metallic to semiconducting character is observed upon the downscaling. This study gives the valuable predictions for the future usage of these materials in several electronic applications and devices. 1D metal oxides Elsevier Structural and electronic properties Elsevier Formation energy analysis Elsevier Tantalum oxides Elsevier 0D metal oxides Elsevier Density functional theory Elsevier 3D metal oxides Elsevier 2D metal oxides Elsevier Nanotechnology Elsevier Alkhedher, Mohammad oth Majid, Abdul oth Al Hassan, Najam oth Enthalten in Elsevier Science Narattha, Chalermphan ELSEVIER Thermal and mechanical characterization of fly ash geopolymer with aluminium chloride and potassium hydroxide treated hemp shiv lightweight aggregate 2022 Amsterdam [u.a.] (DE-627)ELV007709056 volume:151 year:2022 day:15 month:11 pages:0 https://doi.org/10.1016/j.mssp.2022.107014 Volltext GBV_USEFLAG_U GBV_ELV SYSFLAG_U 56.45 Baustoffkunde VZ AR 151 2022 15 1115 0 |
| allfieldsSound |
10.1016/j.mssp.2022.107014 doi /cbs_pica/cbs_olc/import_discovery/elsevier/einzuspielen/GBV00000000001887.pica (DE-627)ELV058787291 (ELSEVIER)S1369-8001(22)00543-1 DE-627 ger DE-627 rakwb eng 690 VZ 56.45 bkl Jabeen, Alia verfasserin aut On downscaling of the tantalum oxides from three to zero dimensions 2022transfer abstract nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier Considering the recent interests in device miniaturization prompted by developments in nanotechnology, study of changes in physical properties of electronic materials upon downscaling to lower dimensions has become more important. This study is aimed at investigating the structural and electronic properties of the tantalum oxides ( TaO , TaO 2 , Ta 2 O 3 , TaO 3 ) in the bulk and lower dimensions of slab, chains and clusters. The predictions pointed out that T a O , TaO2 and Ta2O3 prefer to crystallize in bulk whereas TaO3 stabilizes in form of clusters. The bulk, slab, chains and clusters of TaO exhibit metallic character due to d-electrons at Fermi level. The bulk, slab and clusters of TaO 2 offers the metallic character due to the presence of major contribution of Ta-d states at Fermi level, while the chains appeared as narrow-gap semiconductor which points to a transition from metallic to semiconducting character on downscaling. The bulk and chains of TaO3 exhibited metallic behavior due to presence of p-states on Fermi level, while the clusters are semiconductors having band gap 2.6 eV. Ta2O3 in bulk, slab and chains show metallic character due to presence of d-states of Ta at Fermi level, while the clusters possess the semiconducting nature. In general, the transition from metallic to semiconducting character is observed upon the downscaling. This study gives the valuable predictions for the future usage of these materials in several electronic applications and devices. Considering the recent interests in device miniaturization prompted by developments in nanotechnology, study of changes in physical properties of electronic materials upon downscaling to lower dimensions has become more important. This study is aimed at investigating the structural and electronic properties of the tantalum oxides ( TaO , TaO 2 , Ta 2 O 3 , TaO 3 ) in the bulk and lower dimensions of slab, chains and clusters. The predictions pointed out that T a O , TaO2 and Ta2O3 prefer to crystallize in bulk whereas TaO3 stabilizes in form of clusters. The bulk, slab, chains and clusters of TaO exhibit metallic character due to d-electrons at Fermi level. The bulk, slab and clusters of TaO 2 offers the metallic character due to the presence of major contribution of Ta-d states at Fermi level, while the chains appeared as narrow-gap semiconductor which points to a transition from metallic to semiconducting character on downscaling. The bulk and chains of TaO3 exhibited metallic behavior due to presence of p-states on Fermi level, while the clusters are semiconductors having band gap 2.6 eV. Ta2O3 in bulk, slab and chains show metallic character due to presence of d-states of Ta at Fermi level, while the clusters possess the semiconducting nature. In general, the transition from metallic to semiconducting character is observed upon the downscaling. This study gives the valuable predictions for the future usage of these materials in several electronic applications and devices. 1D metal oxides Elsevier Structural and electronic properties Elsevier Formation energy analysis Elsevier Tantalum oxides Elsevier 0D metal oxides Elsevier Density functional theory Elsevier 3D metal oxides Elsevier 2D metal oxides Elsevier Nanotechnology Elsevier Alkhedher, Mohammad oth Majid, Abdul oth Al Hassan, Najam oth Enthalten in Elsevier Science Narattha, Chalermphan ELSEVIER Thermal and mechanical characterization of fly ash geopolymer with aluminium chloride and potassium hydroxide treated hemp shiv lightweight aggregate 2022 Amsterdam [u.a.] (DE-627)ELV007709056 volume:151 year:2022 day:15 month:11 pages:0 https://doi.org/10.1016/j.mssp.2022.107014 Volltext GBV_USEFLAG_U GBV_ELV SYSFLAG_U 56.45 Baustoffkunde VZ AR 151 2022 15 1115 0 |
| language |
English |
| source |
Enthalten in Thermal and mechanical characterization of fly ash geopolymer with aluminium chloride and potassium hydroxide treated hemp shiv lightweight aggregate Amsterdam [u.a.] volume:151 year:2022 day:15 month:11 pages:0 |
| sourceStr |
Enthalten in Thermal and mechanical characterization of fly ash geopolymer with aluminium chloride and potassium hydroxide treated hemp shiv lightweight aggregate Amsterdam [u.a.] volume:151 year:2022 day:15 month:11 pages:0 |
| format_phy_str_mv |
Article |
| bklname |
Baustoffkunde |
| institution |
findex.gbv.de |
| topic_facet |
1D metal oxides Structural and electronic properties Formation energy analysis Tantalum oxides 0D metal oxides Density functional theory 3D metal oxides 2D metal oxides Nanotechnology |
| dewey-raw |
690 |
| isfreeaccess_bool |
false |
| container_title |
Thermal and mechanical characterization of fly ash geopolymer with aluminium chloride and potassium hydroxide treated hemp shiv lightweight aggregate |
| authorswithroles_txt_mv |
Jabeen, Alia @@aut@@ Alkhedher, Mohammad @@oth@@ Majid, Abdul @@oth@@ Al Hassan, Najam @@oth@@ |
| publishDateDaySort_date |
2022-01-15T00:00:00Z |
| hierarchy_top_id |
ELV007709056 |
| dewey-sort |
3690 |
| id |
ELV058787291 |
| language_de |
englisch |
| fullrecord |
<?xml version="1.0" encoding="UTF-8"?><collection xmlns="http://www.loc.gov/MARC21/slim"><record><leader>01000caa a22002652 4500</leader><controlfield tag="001">ELV058787291</controlfield><controlfield tag="003">DE-627</controlfield><controlfield tag="005">20230626051604.0</controlfield><controlfield tag="007">cr uuu---uuuuu</controlfield><controlfield tag="008">221103s2022 xx |||||o 00| ||eng c</controlfield><datafield tag="024" ind1="7" ind2=" "><subfield code="a">10.1016/j.mssp.2022.107014</subfield><subfield code="2">doi</subfield></datafield><datafield tag="028" ind1="5" ind2="2"><subfield code="a">/cbs_pica/cbs_olc/import_discovery/elsevier/einzuspielen/GBV00000000001887.pica</subfield></datafield><datafield tag="035" ind1=" " ind2=" "><subfield code="a">(DE-627)ELV058787291</subfield></datafield><datafield tag="035" ind1=" " ind2=" "><subfield code="a">(ELSEVIER)S1369-8001(22)00543-1</subfield></datafield><datafield tag="040" ind1=" " ind2=" "><subfield code="a">DE-627</subfield><subfield code="b">ger</subfield><subfield code="c">DE-627</subfield><subfield code="e">rakwb</subfield></datafield><datafield tag="041" ind1=" " ind2=" "><subfield code="a">eng</subfield></datafield><datafield tag="082" ind1="0" ind2="4"><subfield code="a">690</subfield><subfield code="q">VZ</subfield></datafield><datafield tag="084" ind1=" " ind2=" "><subfield code="a">56.45</subfield><subfield code="2">bkl</subfield></datafield><datafield tag="100" ind1="1" ind2=" "><subfield code="a">Jabeen, Alia</subfield><subfield code="e">verfasserin</subfield><subfield code="4">aut</subfield></datafield><datafield tag="245" ind1="1" ind2="0"><subfield code="a">On downscaling of the tantalum oxides from three to zero dimensions</subfield></datafield><datafield tag="264" ind1=" " ind2="1"><subfield code="c">2022transfer abstract</subfield></datafield><datafield tag="336" ind1=" " ind2=" "><subfield code="a">nicht spezifiziert</subfield><subfield code="b">zzz</subfield><subfield code="2">rdacontent</subfield></datafield><datafield tag="337" ind1=" " ind2=" "><subfield code="a">nicht spezifiziert</subfield><subfield code="b">z</subfield><subfield code="2">rdamedia</subfield></datafield><datafield tag="338" ind1=" " ind2=" "><subfield code="a">nicht spezifiziert</subfield><subfield code="b">zu</subfield><subfield code="2">rdacarrier</subfield></datafield><datafield tag="520" ind1=" " ind2=" "><subfield code="a">Considering the recent interests in device miniaturization prompted by developments in nanotechnology, study of changes in physical properties of electronic materials upon downscaling to lower dimensions has become more important. This study is aimed at investigating the structural and electronic properties of the tantalum oxides ( TaO , TaO 2 , Ta 2 O 3 , TaO 3 ) in the bulk and lower dimensions of slab, chains and clusters. The predictions pointed out that T a O , TaO2 and Ta2O3 prefer to crystallize in bulk whereas TaO3 stabilizes in form of clusters. The bulk, slab, chains and clusters of TaO exhibit metallic character due to d-electrons at Fermi level. The bulk, slab and clusters of TaO 2 offers the metallic character due to the presence of major contribution of Ta-d states at Fermi level, while the chains appeared as narrow-gap semiconductor which points to a transition from metallic to semiconducting character on downscaling. The bulk and chains of TaO3 exhibited metallic behavior due to presence of p-states on Fermi level, while the clusters are semiconductors having band gap 2.6 eV. Ta2O3 in bulk, slab and chains show metallic character due to presence of d-states of Ta at Fermi level, while the clusters possess the semiconducting nature. In general, the transition from metallic to semiconducting character is observed upon the downscaling. This study gives the valuable predictions for the future usage of these materials in several electronic applications and devices.</subfield></datafield><datafield tag="520" ind1=" " ind2=" "><subfield code="a">Considering the recent interests in device miniaturization prompted by developments in nanotechnology, study of changes in physical properties of electronic materials upon downscaling to lower dimensions has become more important. This study is aimed at investigating the structural and electronic properties of the tantalum oxides ( TaO , TaO 2 , Ta 2 O 3 , TaO 3 ) in the bulk and lower dimensions of slab, chains and clusters. The predictions pointed out that T a O , TaO2 and Ta2O3 prefer to crystallize in bulk whereas TaO3 stabilizes in form of clusters. The bulk, slab, chains and clusters of TaO exhibit metallic character due to d-electrons at Fermi level. The bulk, slab and clusters of TaO 2 offers the metallic character due to the presence of major contribution of Ta-d states at Fermi level, while the chains appeared as narrow-gap semiconductor which points to a transition from metallic to semiconducting character on downscaling. The bulk and chains of TaO3 exhibited metallic behavior due to presence of p-states on Fermi level, while the clusters are semiconductors having band gap 2.6 eV. Ta2O3 in bulk, slab and chains show metallic character due to presence of d-states of Ta at Fermi level, while the clusters possess the semiconducting nature. In general, the transition from metallic to semiconducting character is observed upon the downscaling. This study gives the valuable predictions for the future usage of these materials in several electronic applications and devices.</subfield></datafield><datafield tag="650" ind1=" " ind2="7"><subfield code="a">1D metal oxides</subfield><subfield code="2">Elsevier</subfield></datafield><datafield tag="650" ind1=" " ind2="7"><subfield code="a">Structural and electronic properties</subfield><subfield code="2">Elsevier</subfield></datafield><datafield tag="650" ind1=" " ind2="7"><subfield code="a">Formation energy analysis</subfield><subfield code="2">Elsevier</subfield></datafield><datafield tag="650" ind1=" " ind2="7"><subfield code="a">Tantalum oxides</subfield><subfield code="2">Elsevier</subfield></datafield><datafield tag="650" ind1=" " ind2="7"><subfield code="a">0D metal oxides</subfield><subfield code="2">Elsevier</subfield></datafield><datafield tag="650" ind1=" " ind2="7"><subfield code="a">Density functional theory</subfield><subfield code="2">Elsevier</subfield></datafield><datafield tag="650" ind1=" " ind2="7"><subfield code="a">3D metal oxides</subfield><subfield code="2">Elsevier</subfield></datafield><datafield tag="650" ind1=" " ind2="7"><subfield code="a">2D metal oxides</subfield><subfield code="2">Elsevier</subfield></datafield><datafield tag="650" ind1=" " ind2="7"><subfield code="a">Nanotechnology</subfield><subfield code="2">Elsevier</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Alkhedher, Mohammad</subfield><subfield code="4">oth</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Majid, Abdul</subfield><subfield code="4">oth</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Al Hassan, Najam</subfield><subfield code="4">oth</subfield></datafield><datafield tag="773" ind1="0" ind2="8"><subfield code="i">Enthalten in</subfield><subfield code="n">Elsevier Science</subfield><subfield code="a">Narattha, Chalermphan ELSEVIER</subfield><subfield code="t">Thermal and mechanical characterization of fly ash geopolymer with aluminium chloride and potassium hydroxide treated hemp shiv lightweight aggregate</subfield><subfield code="d">2022</subfield><subfield code="g">Amsterdam [u.a.]</subfield><subfield code="w">(DE-627)ELV007709056</subfield></datafield><datafield tag="773" ind1="1" ind2="8"><subfield code="g">volume:151</subfield><subfield code="g">year:2022</subfield><subfield code="g">day:15</subfield><subfield code="g">month:11</subfield><subfield code="g">pages:0</subfield></datafield><datafield tag="856" ind1="4" ind2="0"><subfield code="u">https://doi.org/10.1016/j.mssp.2022.107014</subfield><subfield code="3">Volltext</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_USEFLAG_U</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ELV</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">SYSFLAG_U</subfield></datafield><datafield tag="936" ind1="b" ind2="k"><subfield code="a">56.45</subfield><subfield code="j">Baustoffkunde</subfield><subfield code="q">VZ</subfield></datafield><datafield tag="951" ind1=" " ind2=" "><subfield code="a">AR</subfield></datafield><datafield tag="952" ind1=" " ind2=" "><subfield code="d">151</subfield><subfield code="j">2022</subfield><subfield code="b">15</subfield><subfield code="c">1115</subfield><subfield code="h">0</subfield></datafield></record></collection>
|
| author |
Jabeen, Alia |
| spellingShingle |
Jabeen, Alia ddc 690 bkl 56.45 Elsevier 1D metal oxides Elsevier Structural and electronic properties Elsevier Formation energy analysis Elsevier Tantalum oxides Elsevier 0D metal oxides Elsevier Density functional theory Elsevier 3D metal oxides Elsevier 2D metal oxides Elsevier Nanotechnology On downscaling of the tantalum oxides from three to zero dimensions |
| authorStr |
Jabeen, Alia |
| ppnlink_with_tag_str_mv |
@@773@@(DE-627)ELV007709056 |
| format |
electronic Article |
| dewey-ones |
690 - Buildings |
| delete_txt_mv |
keep |
| author_role |
aut |
| collection |
elsevier |
| remote_str |
true |
| illustrated |
Not Illustrated |
| topic_title |
690 VZ 56.45 bkl On downscaling of the tantalum oxides from three to zero dimensions 1D metal oxides Elsevier Structural and electronic properties Elsevier Formation energy analysis Elsevier Tantalum oxides Elsevier 0D metal oxides Elsevier Density functional theory Elsevier 3D metal oxides Elsevier 2D metal oxides Elsevier Nanotechnology Elsevier |
| topic |
ddc 690 bkl 56.45 Elsevier 1D metal oxides Elsevier Structural and electronic properties Elsevier Formation energy analysis Elsevier Tantalum oxides Elsevier 0D metal oxides Elsevier Density functional theory Elsevier 3D metal oxides Elsevier 2D metal oxides Elsevier Nanotechnology |
| topic_unstemmed |
ddc 690 bkl 56.45 Elsevier 1D metal oxides Elsevier Structural and electronic properties Elsevier Formation energy analysis Elsevier Tantalum oxides Elsevier 0D metal oxides Elsevier Density functional theory Elsevier 3D metal oxides Elsevier 2D metal oxides Elsevier Nanotechnology |
| topic_browse |
ddc 690 bkl 56.45 Elsevier 1D metal oxides Elsevier Structural and electronic properties Elsevier Formation energy analysis Elsevier Tantalum oxides Elsevier 0D metal oxides Elsevier Density functional theory Elsevier 3D metal oxides Elsevier 2D metal oxides Elsevier Nanotechnology |
| format_facet |
Elektronische Aufsätze Aufsätze Elektronische Ressource |
| format_main_str_mv |
Text Zeitschrift/Artikel |
| carriertype_str_mv |
zu |
| author2_variant |
m a ma a m am h n a hn hna |
| hierarchy_parent_title |
Thermal and mechanical characterization of fly ash geopolymer with aluminium chloride and potassium hydroxide treated hemp shiv lightweight aggregate |
| hierarchy_parent_id |
ELV007709056 |
| dewey-tens |
690 - Building & construction |
| hierarchy_top_title |
Thermal and mechanical characterization of fly ash geopolymer with aluminium chloride and potassium hydroxide treated hemp shiv lightweight aggregate |
| isfreeaccess_txt |
false |
| familylinks_str_mv |
(DE-627)ELV007709056 |
| title |
On downscaling of the tantalum oxides from three to zero dimensions |
| ctrlnum |
(DE-627)ELV058787291 (ELSEVIER)S1369-8001(22)00543-1 |
| title_full |
On downscaling of the tantalum oxides from three to zero dimensions |
| author_sort |
Jabeen, Alia |
| journal |
Thermal and mechanical characterization of fly ash geopolymer with aluminium chloride and potassium hydroxide treated hemp shiv lightweight aggregate |
| journalStr |
Thermal and mechanical characterization of fly ash geopolymer with aluminium chloride and potassium hydroxide treated hemp shiv lightweight aggregate |
| lang_code |
eng |
| isOA_bool |
false |
| dewey-hundreds |
600 - Technology |
| recordtype |
marc |
| publishDateSort |
2022 |
| contenttype_str_mv |
zzz |
| container_start_page |
0 |
| author_browse |
Jabeen, Alia |
| container_volume |
151 |
| class |
690 VZ 56.45 bkl |
| format_se |
Elektronische Aufsätze |
| author-letter |
Jabeen, Alia |
| doi_str_mv |
10.1016/j.mssp.2022.107014 |
| dewey-full |
690 |
| title_sort |
on downscaling of the tantalum oxides from three to zero dimensions |
| title_auth |
On downscaling of the tantalum oxides from three to zero dimensions |
| abstract |
Considering the recent interests in device miniaturization prompted by developments in nanotechnology, study of changes in physical properties of electronic materials upon downscaling to lower dimensions has become more important. This study is aimed at investigating the structural and electronic properties of the tantalum oxides ( TaO , TaO 2 , Ta 2 O 3 , TaO 3 ) in the bulk and lower dimensions of slab, chains and clusters. The predictions pointed out that T a O , TaO2 and Ta2O3 prefer to crystallize in bulk whereas TaO3 stabilizes in form of clusters. The bulk, slab, chains and clusters of TaO exhibit metallic character due to d-electrons at Fermi level. The bulk, slab and clusters of TaO 2 offers the metallic character due to the presence of major contribution of Ta-d states at Fermi level, while the chains appeared as narrow-gap semiconductor which points to a transition from metallic to semiconducting character on downscaling. The bulk and chains of TaO3 exhibited metallic behavior due to presence of p-states on Fermi level, while the clusters are semiconductors having band gap 2.6 eV. Ta2O3 in bulk, slab and chains show metallic character due to presence of d-states of Ta at Fermi level, while the clusters possess the semiconducting nature. In general, the transition from metallic to semiconducting character is observed upon the downscaling. This study gives the valuable predictions for the future usage of these materials in several electronic applications and devices. |
| abstractGer |
Considering the recent interests in device miniaturization prompted by developments in nanotechnology, study of changes in physical properties of electronic materials upon downscaling to lower dimensions has become more important. This study is aimed at investigating the structural and electronic properties of the tantalum oxides ( TaO , TaO 2 , Ta 2 O 3 , TaO 3 ) in the bulk and lower dimensions of slab, chains and clusters. The predictions pointed out that T a O , TaO2 and Ta2O3 prefer to crystallize in bulk whereas TaO3 stabilizes in form of clusters. The bulk, slab, chains and clusters of TaO exhibit metallic character due to d-electrons at Fermi level. The bulk, slab and clusters of TaO 2 offers the metallic character due to the presence of major contribution of Ta-d states at Fermi level, while the chains appeared as narrow-gap semiconductor which points to a transition from metallic to semiconducting character on downscaling. The bulk and chains of TaO3 exhibited metallic behavior due to presence of p-states on Fermi level, while the clusters are semiconductors having band gap 2.6 eV. Ta2O3 in bulk, slab and chains show metallic character due to presence of d-states of Ta at Fermi level, while the clusters possess the semiconducting nature. In general, the transition from metallic to semiconducting character is observed upon the downscaling. This study gives the valuable predictions for the future usage of these materials in several electronic applications and devices. |
| abstract_unstemmed |
Considering the recent interests in device miniaturization prompted by developments in nanotechnology, study of changes in physical properties of electronic materials upon downscaling to lower dimensions has become more important. This study is aimed at investigating the structural and electronic properties of the tantalum oxides ( TaO , TaO 2 , Ta 2 O 3 , TaO 3 ) in the bulk and lower dimensions of slab, chains and clusters. The predictions pointed out that T a O , TaO2 and Ta2O3 prefer to crystallize in bulk whereas TaO3 stabilizes in form of clusters. The bulk, slab, chains and clusters of TaO exhibit metallic character due to d-electrons at Fermi level. The bulk, slab and clusters of TaO 2 offers the metallic character due to the presence of major contribution of Ta-d states at Fermi level, while the chains appeared as narrow-gap semiconductor which points to a transition from metallic to semiconducting character on downscaling. The bulk and chains of TaO3 exhibited metallic behavior due to presence of p-states on Fermi level, while the clusters are semiconductors having band gap 2.6 eV. Ta2O3 in bulk, slab and chains show metallic character due to presence of d-states of Ta at Fermi level, while the clusters possess the semiconducting nature. In general, the transition from metallic to semiconducting character is observed upon the downscaling. This study gives the valuable predictions for the future usage of these materials in several electronic applications and devices. |
| collection_details |
GBV_USEFLAG_U GBV_ELV SYSFLAG_U |
| title_short |
On downscaling of the tantalum oxides from three to zero dimensions |
| url |
https://doi.org/10.1016/j.mssp.2022.107014 |
| remote_bool |
true |
| author2 |
Alkhedher, Mohammad Majid, Abdul Al Hassan, Najam |
| author2Str |
Alkhedher, Mohammad Majid, Abdul Al Hassan, Najam |
| ppnlink |
ELV007709056 |
| mediatype_str_mv |
z |
| isOA_txt |
false |
| hochschulschrift_bool |
false |
| author2_role |
oth oth oth |
| doi_str |
10.1016/j.mssp.2022.107014 |
| up_date |
2024-07-06T20:03:12.023Z |
| _version_ |
1803861299847757824 |
| fullrecord_marcxml |
<?xml version="1.0" encoding="UTF-8"?><collection xmlns="http://www.loc.gov/MARC21/slim"><record><leader>01000caa a22002652 4500</leader><controlfield tag="001">ELV058787291</controlfield><controlfield tag="003">DE-627</controlfield><controlfield tag="005">20230626051604.0</controlfield><controlfield tag="007">cr uuu---uuuuu</controlfield><controlfield tag="008">221103s2022 xx |||||o 00| ||eng c</controlfield><datafield tag="024" ind1="7" ind2=" "><subfield code="a">10.1016/j.mssp.2022.107014</subfield><subfield code="2">doi</subfield></datafield><datafield tag="028" ind1="5" ind2="2"><subfield code="a">/cbs_pica/cbs_olc/import_discovery/elsevier/einzuspielen/GBV00000000001887.pica</subfield></datafield><datafield tag="035" ind1=" " ind2=" "><subfield code="a">(DE-627)ELV058787291</subfield></datafield><datafield tag="035" ind1=" " ind2=" "><subfield code="a">(ELSEVIER)S1369-8001(22)00543-1</subfield></datafield><datafield tag="040" ind1=" " ind2=" "><subfield code="a">DE-627</subfield><subfield code="b">ger</subfield><subfield code="c">DE-627</subfield><subfield code="e">rakwb</subfield></datafield><datafield tag="041" ind1=" " ind2=" "><subfield code="a">eng</subfield></datafield><datafield tag="082" ind1="0" ind2="4"><subfield code="a">690</subfield><subfield code="q">VZ</subfield></datafield><datafield tag="084" ind1=" " ind2=" "><subfield code="a">56.45</subfield><subfield code="2">bkl</subfield></datafield><datafield tag="100" ind1="1" ind2=" "><subfield code="a">Jabeen, Alia</subfield><subfield code="e">verfasserin</subfield><subfield code="4">aut</subfield></datafield><datafield tag="245" ind1="1" ind2="0"><subfield code="a">On downscaling of the tantalum oxides from three to zero dimensions</subfield></datafield><datafield tag="264" ind1=" " ind2="1"><subfield code="c">2022transfer abstract</subfield></datafield><datafield tag="336" ind1=" " ind2=" "><subfield code="a">nicht spezifiziert</subfield><subfield code="b">zzz</subfield><subfield code="2">rdacontent</subfield></datafield><datafield tag="337" ind1=" " ind2=" "><subfield code="a">nicht spezifiziert</subfield><subfield code="b">z</subfield><subfield code="2">rdamedia</subfield></datafield><datafield tag="338" ind1=" " ind2=" "><subfield code="a">nicht spezifiziert</subfield><subfield code="b">zu</subfield><subfield code="2">rdacarrier</subfield></datafield><datafield tag="520" ind1=" " ind2=" "><subfield code="a">Considering the recent interests in device miniaturization prompted by developments in nanotechnology, study of changes in physical properties of electronic materials upon downscaling to lower dimensions has become more important. This study is aimed at investigating the structural and electronic properties of the tantalum oxides ( TaO , TaO 2 , Ta 2 O 3 , TaO 3 ) in the bulk and lower dimensions of slab, chains and clusters. The predictions pointed out that T a O , TaO2 and Ta2O3 prefer to crystallize in bulk whereas TaO3 stabilizes in form of clusters. The bulk, slab, chains and clusters of TaO exhibit metallic character due to d-electrons at Fermi level. The bulk, slab and clusters of TaO 2 offers the metallic character due to the presence of major contribution of Ta-d states at Fermi level, while the chains appeared as narrow-gap semiconductor which points to a transition from metallic to semiconducting character on downscaling. The bulk and chains of TaO3 exhibited metallic behavior due to presence of p-states on Fermi level, while the clusters are semiconductors having band gap 2.6 eV. Ta2O3 in bulk, slab and chains show metallic character due to presence of d-states of Ta at Fermi level, while the clusters possess the semiconducting nature. In general, the transition from metallic to semiconducting character is observed upon the downscaling. This study gives the valuable predictions for the future usage of these materials in several electronic applications and devices.</subfield></datafield><datafield tag="520" ind1=" " ind2=" "><subfield code="a">Considering the recent interests in device miniaturization prompted by developments in nanotechnology, study of changes in physical properties of electronic materials upon downscaling to lower dimensions has become more important. This study is aimed at investigating the structural and electronic properties of the tantalum oxides ( TaO , TaO 2 , Ta 2 O 3 , TaO 3 ) in the bulk and lower dimensions of slab, chains and clusters. The predictions pointed out that T a O , TaO2 and Ta2O3 prefer to crystallize in bulk whereas TaO3 stabilizes in form of clusters. The bulk, slab, chains and clusters of TaO exhibit metallic character due to d-electrons at Fermi level. The bulk, slab and clusters of TaO 2 offers the metallic character due to the presence of major contribution of Ta-d states at Fermi level, while the chains appeared as narrow-gap semiconductor which points to a transition from metallic to semiconducting character on downscaling. The bulk and chains of TaO3 exhibited metallic behavior due to presence of p-states on Fermi level, while the clusters are semiconductors having band gap 2.6 eV. Ta2O3 in bulk, slab and chains show metallic character due to presence of d-states of Ta at Fermi level, while the clusters possess the semiconducting nature. In general, the transition from metallic to semiconducting character is observed upon the downscaling. This study gives the valuable predictions for the future usage of these materials in several electronic applications and devices.</subfield></datafield><datafield tag="650" ind1=" " ind2="7"><subfield code="a">1D metal oxides</subfield><subfield code="2">Elsevier</subfield></datafield><datafield tag="650" ind1=" " ind2="7"><subfield code="a">Structural and electronic properties</subfield><subfield code="2">Elsevier</subfield></datafield><datafield tag="650" ind1=" " ind2="7"><subfield code="a">Formation energy analysis</subfield><subfield code="2">Elsevier</subfield></datafield><datafield tag="650" ind1=" " ind2="7"><subfield code="a">Tantalum oxides</subfield><subfield code="2">Elsevier</subfield></datafield><datafield tag="650" ind1=" " ind2="7"><subfield code="a">0D metal oxides</subfield><subfield code="2">Elsevier</subfield></datafield><datafield tag="650" ind1=" " ind2="7"><subfield code="a">Density functional theory</subfield><subfield code="2">Elsevier</subfield></datafield><datafield tag="650" ind1=" " ind2="7"><subfield code="a">3D metal oxides</subfield><subfield code="2">Elsevier</subfield></datafield><datafield tag="650" ind1=" " ind2="7"><subfield code="a">2D metal oxides</subfield><subfield code="2">Elsevier</subfield></datafield><datafield tag="650" ind1=" " ind2="7"><subfield code="a">Nanotechnology</subfield><subfield code="2">Elsevier</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Alkhedher, Mohammad</subfield><subfield code="4">oth</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Majid, Abdul</subfield><subfield code="4">oth</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Al Hassan, Najam</subfield><subfield code="4">oth</subfield></datafield><datafield tag="773" ind1="0" ind2="8"><subfield code="i">Enthalten in</subfield><subfield code="n">Elsevier Science</subfield><subfield code="a">Narattha, Chalermphan ELSEVIER</subfield><subfield code="t">Thermal and mechanical characterization of fly ash geopolymer with aluminium chloride and potassium hydroxide treated hemp shiv lightweight aggregate</subfield><subfield code="d">2022</subfield><subfield code="g">Amsterdam [u.a.]</subfield><subfield code="w">(DE-627)ELV007709056</subfield></datafield><datafield tag="773" ind1="1" ind2="8"><subfield code="g">volume:151</subfield><subfield code="g">year:2022</subfield><subfield code="g">day:15</subfield><subfield code="g">month:11</subfield><subfield code="g">pages:0</subfield></datafield><datafield tag="856" ind1="4" ind2="0"><subfield code="u">https://doi.org/10.1016/j.mssp.2022.107014</subfield><subfield code="3">Volltext</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_USEFLAG_U</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ELV</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">SYSFLAG_U</subfield></datafield><datafield tag="936" ind1="b" ind2="k"><subfield code="a">56.45</subfield><subfield code="j">Baustoffkunde</subfield><subfield code="q">VZ</subfield></datafield><datafield tag="951" ind1=" " ind2=" "><subfield code="a">AR</subfield></datafield><datafield tag="952" ind1=" " ind2=" "><subfield code="d">151</subfield><subfield code="j">2022</subfield><subfield code="b">15</subfield><subfield code="c">1115</subfield><subfield code="h">0</subfield></datafield></record></collection>
|
| score |
7.3986425 |