Effect of the electronic state of Ti on M-doped TiO2 nanoparticles (M=Zn, Ga or Ge) with high photocatalytic activities: A experimental and DFT molecular study
In the pursuit of environmental sustainability, nanomaterials with specific characteristics that can improve the environment by various methods have been developed. In this work, M-doped TiO2 microspheres have been synthesized by a colloidal route and doped with 1% in wt. of M (M=Zn, Ga and Ge). The...
Ausführliche Beschreibung
Gespeichert in:
| Autor*in: |
Salazar-Villanueva, M. [verfasserIn] |
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| Format: |
E-Artikel |
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| Sprache: |
Englisch |
| Erschienen: |
2017transfer abstract |
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| Umfang: |
7 |
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| 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.] |
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| Übergeordnetes Werk: |
volume:58 ; year:2017 ; pages:8-14 ; extent:7 |
| Links: |
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| DOI / URN: |
10.1016/j.mssp.2016.10.050 |
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| 245 | 1 | 0 | |a Effect of the electronic state of Ti on M-doped TiO2 nanoparticles (M=Zn, Ga or Ge) with high photocatalytic activities: A experimental and DFT molecular study |
| 264 | 1 | |c 2017transfer abstract | |
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| 520 | |a In the pursuit of environmental sustainability, nanomaterials with specific characteristics that can improve the environment by various methods have been developed. In this work, M-doped TiO2 microspheres have been synthesized by a colloidal route and doped with 1% in wt. of M (M=Zn, Ga and Ge). The materials were calcined at 400°C and they were characterized by means X-ray diffraction (XRD) analysis, UV–vis spectroscopy coupled with diffuse reflectance spectroscopy (DRS), N2 physisorption, scanning electron microscopy (SEM) and X-ray photoelectron spectroscopy (XPS). The catalytic activity of the materials was studied by evaluating the photocatalytic degradation of 2,4-dichlorophenoxyacetic acid in an aqueous solution. Moreover the photocatalytic activity of the doped materials were enhanced compared to pristine material, according the next trend:Ge:TiO2 >Ga:TiO2 >Zn:TiO2>TiO2. The presence of atoms of Zn, Ga or Ge in the structure of TiO2 was shown by XPS analysis, indeed these results reveal a diminution of the energy levels of the 2p3/2 and 2p1/2 electrons from doped materials compared with pristine material, which is evidence for a strong relationship between the doped cation valence of the TiO2 and the degradation of the 2,4-dichlorophenoxyacetic acid. Theoretical calculations within DFT framework were performed on two models of nanoparticles like-anatase in order to interpret the photocatalytic activity obtained experimentally by means the frontier orbitals (HOMO and LUMO), the morphology and electronic distribution. | ||
| 520 | |a In the pursuit of environmental sustainability, nanomaterials with specific characteristics that can improve the environment by various methods have been developed. In this work, M-doped TiO2 microspheres have been synthesized by a colloidal route and doped with 1% in wt. of M (M=Zn, Ga and Ge). The materials were calcined at 400°C and they were characterized by means X-ray diffraction (XRD) analysis, UV–vis spectroscopy coupled with diffuse reflectance spectroscopy (DRS), N2 physisorption, scanning electron microscopy (SEM) and X-ray photoelectron spectroscopy (XPS). The catalytic activity of the materials was studied by evaluating the photocatalytic degradation of 2,4-dichlorophenoxyacetic acid in an aqueous solution. Moreover the photocatalytic activity of the doped materials were enhanced compared to pristine material, according the next trend:Ge:TiO2 >Ga:TiO2 >Zn:TiO2>TiO2. The presence of atoms of Zn, Ga or Ge in the structure of TiO2 was shown by XPS analysis, indeed these results reveal a diminution of the energy levels of the 2p3/2 and 2p1/2 electrons from doped materials compared with pristine material, which is evidence for a strong relationship between the doped cation valence of the TiO2 and the degradation of the 2,4-dichlorophenoxyacetic acid. Theoretical calculations within DFT framework were performed on two models of nanoparticles like-anatase in order to interpret the photocatalytic activity obtained experimentally by means the frontier orbitals (HOMO and LUMO), the morphology and electronic distribution. | ||
| 650 | 7 | |a TiO2 |2 Elsevier | |
| 650 | 7 | |a Quantum mechanics |2 Elsevier | |
| 650 | 7 | |a Density Functional Theory |2 Elsevier | |
| 650 | 7 | |a Doping (Ga, Ge, Zn) |2 Elsevier | |
| 650 | 7 | |a X-ray photoelectron spectroscopy |2 Elsevier | |
| 650 | 7 | |a 2,4-Dichlorophenoxyacetic acid |2 Elsevier | |
| 700 | 1 | |a Cruz-López, A. |4 oth | |
| 700 | 1 | |a Zaldívar-Cadena, A.A. |4 oth | |
| 700 | 1 | |a Tovar-Corona, A. |4 oth | |
| 700 | 1 | |a Guevara-Romero, M.L. |4 oth | |
| 700 | 1 | |a Vazquez-Cuchillo, O. |4 oth | |
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10.1016/j.mssp.2016.10.050 doi GBVA2017002000024.pica (DE-627)ELV03024319X (ELSEVIER)S1369-8001(16)30492-9 DE-627 ger DE-627 rakwb eng 530 620 530 DE-600 620 DE-600 690 VZ 56.45 bkl Salazar-Villanueva, M. verfasserin aut Effect of the electronic state of Ti on M-doped TiO2 nanoparticles (M=Zn, Ga or Ge) with high photocatalytic activities: A experimental and DFT molecular study 2017transfer abstract 7 nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier In the pursuit of environmental sustainability, nanomaterials with specific characteristics that can improve the environment by various methods have been developed. In this work, M-doped TiO2 microspheres have been synthesized by a colloidal route and doped with 1% in wt. of M (M=Zn, Ga and Ge). The materials were calcined at 400°C and they were characterized by means X-ray diffraction (XRD) analysis, UV–vis spectroscopy coupled with diffuse reflectance spectroscopy (DRS), N2 physisorption, scanning electron microscopy (SEM) and X-ray photoelectron spectroscopy (XPS). The catalytic activity of the materials was studied by evaluating the photocatalytic degradation of 2,4-dichlorophenoxyacetic acid in an aqueous solution. Moreover the photocatalytic activity of the doped materials were enhanced compared to pristine material, according the next trend:Ge:TiO2 >Ga:TiO2 >Zn:TiO2>TiO2. The presence of atoms of Zn, Ga or Ge in the structure of TiO2 was shown by XPS analysis, indeed these results reveal a diminution of the energy levels of the 2p3/2 and 2p1/2 electrons from doped materials compared with pristine material, which is evidence for a strong relationship between the doped cation valence of the TiO2 and the degradation of the 2,4-dichlorophenoxyacetic acid. Theoretical calculations within DFT framework were performed on two models of nanoparticles like-anatase in order to interpret the photocatalytic activity obtained experimentally by means the frontier orbitals (HOMO and LUMO), the morphology and electronic distribution. In the pursuit of environmental sustainability, nanomaterials with specific characteristics that can improve the environment by various methods have been developed. In this work, M-doped TiO2 microspheres have been synthesized by a colloidal route and doped with 1% in wt. of M (M=Zn, Ga and Ge). The materials were calcined at 400°C and they were characterized by means X-ray diffraction (XRD) analysis, UV–vis spectroscopy coupled with diffuse reflectance spectroscopy (DRS), N2 physisorption, scanning electron microscopy (SEM) and X-ray photoelectron spectroscopy (XPS). The catalytic activity of the materials was studied by evaluating the photocatalytic degradation of 2,4-dichlorophenoxyacetic acid in an aqueous solution. Moreover the photocatalytic activity of the doped materials were enhanced compared to pristine material, according the next trend:Ge:TiO2 >Ga:TiO2 >Zn:TiO2>TiO2. The presence of atoms of Zn, Ga or Ge in the structure of TiO2 was shown by XPS analysis, indeed these results reveal a diminution of the energy levels of the 2p3/2 and 2p1/2 electrons from doped materials compared with pristine material, which is evidence for a strong relationship between the doped cation valence of the TiO2 and the degradation of the 2,4-dichlorophenoxyacetic acid. Theoretical calculations within DFT framework were performed on two models of nanoparticles like-anatase in order to interpret the photocatalytic activity obtained experimentally by means the frontier orbitals (HOMO and LUMO), the morphology and electronic distribution. TiO2 Elsevier Quantum mechanics Elsevier Density Functional Theory Elsevier Doping (Ga, Ge, Zn) Elsevier X-ray photoelectron spectroscopy Elsevier 2,4-Dichlorophenoxyacetic acid Elsevier Cruz-López, A. oth Zaldívar-Cadena, A.A. oth Tovar-Corona, A. oth Guevara-Romero, M.L. oth Vazquez-Cuchillo, O. 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:58 year:2017 pages:8-14 extent:7 https://doi.org/10.1016/j.mssp.2016.10.050 Volltext GBV_USEFLAG_U GBV_ELV SYSFLAG_U 56.45 Baustoffkunde VZ AR 58 2017 8-14 7 045F 530 |
| spelling |
10.1016/j.mssp.2016.10.050 doi GBVA2017002000024.pica (DE-627)ELV03024319X (ELSEVIER)S1369-8001(16)30492-9 DE-627 ger DE-627 rakwb eng 530 620 530 DE-600 620 DE-600 690 VZ 56.45 bkl Salazar-Villanueva, M. verfasserin aut Effect of the electronic state of Ti on M-doped TiO2 nanoparticles (M=Zn, Ga or Ge) with high photocatalytic activities: A experimental and DFT molecular study 2017transfer abstract 7 nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier In the pursuit of environmental sustainability, nanomaterials with specific characteristics that can improve the environment by various methods have been developed. In this work, M-doped TiO2 microspheres have been synthesized by a colloidal route and doped with 1% in wt. of M (M=Zn, Ga and Ge). The materials were calcined at 400°C and they were characterized by means X-ray diffraction (XRD) analysis, UV–vis spectroscopy coupled with diffuse reflectance spectroscopy (DRS), N2 physisorption, scanning electron microscopy (SEM) and X-ray photoelectron spectroscopy (XPS). The catalytic activity of the materials was studied by evaluating the photocatalytic degradation of 2,4-dichlorophenoxyacetic acid in an aqueous solution. Moreover the photocatalytic activity of the doped materials were enhanced compared to pristine material, according the next trend:Ge:TiO2 >Ga:TiO2 >Zn:TiO2>TiO2. The presence of atoms of Zn, Ga or Ge in the structure of TiO2 was shown by XPS analysis, indeed these results reveal a diminution of the energy levels of the 2p3/2 and 2p1/2 electrons from doped materials compared with pristine material, which is evidence for a strong relationship between the doped cation valence of the TiO2 and the degradation of the 2,4-dichlorophenoxyacetic acid. Theoretical calculations within DFT framework were performed on two models of nanoparticles like-anatase in order to interpret the photocatalytic activity obtained experimentally by means the frontier orbitals (HOMO and LUMO), the morphology and electronic distribution. In the pursuit of environmental sustainability, nanomaterials with specific characteristics that can improve the environment by various methods have been developed. In this work, M-doped TiO2 microspheres have been synthesized by a colloidal route and doped with 1% in wt. of M (M=Zn, Ga and Ge). The materials were calcined at 400°C and they were characterized by means X-ray diffraction (XRD) analysis, UV–vis spectroscopy coupled with diffuse reflectance spectroscopy (DRS), N2 physisorption, scanning electron microscopy (SEM) and X-ray photoelectron spectroscopy (XPS). The catalytic activity of the materials was studied by evaluating the photocatalytic degradation of 2,4-dichlorophenoxyacetic acid in an aqueous solution. Moreover the photocatalytic activity of the doped materials were enhanced compared to pristine material, according the next trend:Ge:TiO2 >Ga:TiO2 >Zn:TiO2>TiO2. The presence of atoms of Zn, Ga or Ge in the structure of TiO2 was shown by XPS analysis, indeed these results reveal a diminution of the energy levels of the 2p3/2 and 2p1/2 electrons from doped materials compared with pristine material, which is evidence for a strong relationship between the doped cation valence of the TiO2 and the degradation of the 2,4-dichlorophenoxyacetic acid. Theoretical calculations within DFT framework were performed on two models of nanoparticles like-anatase in order to interpret the photocatalytic activity obtained experimentally by means the frontier orbitals (HOMO and LUMO), the morphology and electronic distribution. TiO2 Elsevier Quantum mechanics Elsevier Density Functional Theory Elsevier Doping (Ga, Ge, Zn) Elsevier X-ray photoelectron spectroscopy Elsevier 2,4-Dichlorophenoxyacetic acid Elsevier Cruz-López, A. oth Zaldívar-Cadena, A.A. oth Tovar-Corona, A. oth Guevara-Romero, M.L. oth Vazquez-Cuchillo, O. 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:58 year:2017 pages:8-14 extent:7 https://doi.org/10.1016/j.mssp.2016.10.050 Volltext GBV_USEFLAG_U GBV_ELV SYSFLAG_U 56.45 Baustoffkunde VZ AR 58 2017 8-14 7 045F 530 |
| allfields_unstemmed |
10.1016/j.mssp.2016.10.050 doi GBVA2017002000024.pica (DE-627)ELV03024319X (ELSEVIER)S1369-8001(16)30492-9 DE-627 ger DE-627 rakwb eng 530 620 530 DE-600 620 DE-600 690 VZ 56.45 bkl Salazar-Villanueva, M. verfasserin aut Effect of the electronic state of Ti on M-doped TiO2 nanoparticles (M=Zn, Ga or Ge) with high photocatalytic activities: A experimental and DFT molecular study 2017transfer abstract 7 nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier In the pursuit of environmental sustainability, nanomaterials with specific characteristics that can improve the environment by various methods have been developed. In this work, M-doped TiO2 microspheres have been synthesized by a colloidal route and doped with 1% in wt. of M (M=Zn, Ga and Ge). The materials were calcined at 400°C and they were characterized by means X-ray diffraction (XRD) analysis, UV–vis spectroscopy coupled with diffuse reflectance spectroscopy (DRS), N2 physisorption, scanning electron microscopy (SEM) and X-ray photoelectron spectroscopy (XPS). The catalytic activity of the materials was studied by evaluating the photocatalytic degradation of 2,4-dichlorophenoxyacetic acid in an aqueous solution. Moreover the photocatalytic activity of the doped materials were enhanced compared to pristine material, according the next trend:Ge:TiO2 >Ga:TiO2 >Zn:TiO2>TiO2. The presence of atoms of Zn, Ga or Ge in the structure of TiO2 was shown by XPS analysis, indeed these results reveal a diminution of the energy levels of the 2p3/2 and 2p1/2 electrons from doped materials compared with pristine material, which is evidence for a strong relationship between the doped cation valence of the TiO2 and the degradation of the 2,4-dichlorophenoxyacetic acid. Theoretical calculations within DFT framework were performed on two models of nanoparticles like-anatase in order to interpret the photocatalytic activity obtained experimentally by means the frontier orbitals (HOMO and LUMO), the morphology and electronic distribution. In the pursuit of environmental sustainability, nanomaterials with specific characteristics that can improve the environment by various methods have been developed. In this work, M-doped TiO2 microspheres have been synthesized by a colloidal route and doped with 1% in wt. of M (M=Zn, Ga and Ge). The materials were calcined at 400°C and they were characterized by means X-ray diffraction (XRD) analysis, UV–vis spectroscopy coupled with diffuse reflectance spectroscopy (DRS), N2 physisorption, scanning electron microscopy (SEM) and X-ray photoelectron spectroscopy (XPS). The catalytic activity of the materials was studied by evaluating the photocatalytic degradation of 2,4-dichlorophenoxyacetic acid in an aqueous solution. Moreover the photocatalytic activity of the doped materials were enhanced compared to pristine material, according the next trend:Ge:TiO2 >Ga:TiO2 >Zn:TiO2>TiO2. The presence of atoms of Zn, Ga or Ge in the structure of TiO2 was shown by XPS analysis, indeed these results reveal a diminution of the energy levels of the 2p3/2 and 2p1/2 electrons from doped materials compared with pristine material, which is evidence for a strong relationship between the doped cation valence of the TiO2 and the degradation of the 2,4-dichlorophenoxyacetic acid. Theoretical calculations within DFT framework were performed on two models of nanoparticles like-anatase in order to interpret the photocatalytic activity obtained experimentally by means the frontier orbitals (HOMO and LUMO), the morphology and electronic distribution. TiO2 Elsevier Quantum mechanics Elsevier Density Functional Theory Elsevier Doping (Ga, Ge, Zn) Elsevier X-ray photoelectron spectroscopy Elsevier 2,4-Dichlorophenoxyacetic acid Elsevier Cruz-López, A. oth Zaldívar-Cadena, A.A. oth Tovar-Corona, A. oth Guevara-Romero, M.L. oth Vazquez-Cuchillo, O. 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:58 year:2017 pages:8-14 extent:7 https://doi.org/10.1016/j.mssp.2016.10.050 Volltext GBV_USEFLAG_U GBV_ELV SYSFLAG_U 56.45 Baustoffkunde VZ AR 58 2017 8-14 7 045F 530 |
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10.1016/j.mssp.2016.10.050 doi GBVA2017002000024.pica (DE-627)ELV03024319X (ELSEVIER)S1369-8001(16)30492-9 DE-627 ger DE-627 rakwb eng 530 620 530 DE-600 620 DE-600 690 VZ 56.45 bkl Salazar-Villanueva, M. verfasserin aut Effect of the electronic state of Ti on M-doped TiO2 nanoparticles (M=Zn, Ga or Ge) with high photocatalytic activities: A experimental and DFT molecular study 2017transfer abstract 7 nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier In the pursuit of environmental sustainability, nanomaterials with specific characteristics that can improve the environment by various methods have been developed. In this work, M-doped TiO2 microspheres have been synthesized by a colloidal route and doped with 1% in wt. of M (M=Zn, Ga and Ge). The materials were calcined at 400°C and they were characterized by means X-ray diffraction (XRD) analysis, UV–vis spectroscopy coupled with diffuse reflectance spectroscopy (DRS), N2 physisorption, scanning electron microscopy (SEM) and X-ray photoelectron spectroscopy (XPS). The catalytic activity of the materials was studied by evaluating the photocatalytic degradation of 2,4-dichlorophenoxyacetic acid in an aqueous solution. Moreover the photocatalytic activity of the doped materials were enhanced compared to pristine material, according the next trend:Ge:TiO2 >Ga:TiO2 >Zn:TiO2>TiO2. The presence of atoms of Zn, Ga or Ge in the structure of TiO2 was shown by XPS analysis, indeed these results reveal a diminution of the energy levels of the 2p3/2 and 2p1/2 electrons from doped materials compared with pristine material, which is evidence for a strong relationship between the doped cation valence of the TiO2 and the degradation of the 2,4-dichlorophenoxyacetic acid. Theoretical calculations within DFT framework were performed on two models of nanoparticles like-anatase in order to interpret the photocatalytic activity obtained experimentally by means the frontier orbitals (HOMO and LUMO), the morphology and electronic distribution. In the pursuit of environmental sustainability, nanomaterials with specific characteristics that can improve the environment by various methods have been developed. In this work, M-doped TiO2 microspheres have been synthesized by a colloidal route and doped with 1% in wt. of M (M=Zn, Ga and Ge). The materials were calcined at 400°C and they were characterized by means X-ray diffraction (XRD) analysis, UV–vis spectroscopy coupled with diffuse reflectance spectroscopy (DRS), N2 physisorption, scanning electron microscopy (SEM) and X-ray photoelectron spectroscopy (XPS). The catalytic activity of the materials was studied by evaluating the photocatalytic degradation of 2,4-dichlorophenoxyacetic acid in an aqueous solution. Moreover the photocatalytic activity of the doped materials were enhanced compared to pristine material, according the next trend:Ge:TiO2 >Ga:TiO2 >Zn:TiO2>TiO2. The presence of atoms of Zn, Ga or Ge in the structure of TiO2 was shown by XPS analysis, indeed these results reveal a diminution of the energy levels of the 2p3/2 and 2p1/2 electrons from doped materials compared with pristine material, which is evidence for a strong relationship between the doped cation valence of the TiO2 and the degradation of the 2,4-dichlorophenoxyacetic acid. Theoretical calculations within DFT framework were performed on two models of nanoparticles like-anatase in order to interpret the photocatalytic activity obtained experimentally by means the frontier orbitals (HOMO and LUMO), the morphology and electronic distribution. TiO2 Elsevier Quantum mechanics Elsevier Density Functional Theory Elsevier Doping (Ga, Ge, Zn) Elsevier X-ray photoelectron spectroscopy Elsevier 2,4-Dichlorophenoxyacetic acid Elsevier Cruz-López, A. oth Zaldívar-Cadena, A.A. oth Tovar-Corona, A. oth Guevara-Romero, M.L. oth Vazquez-Cuchillo, O. 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:58 year:2017 pages:8-14 extent:7 https://doi.org/10.1016/j.mssp.2016.10.050 Volltext GBV_USEFLAG_U GBV_ELV SYSFLAG_U 56.45 Baustoffkunde VZ AR 58 2017 8-14 7 045F 530 |
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10.1016/j.mssp.2016.10.050 doi GBVA2017002000024.pica (DE-627)ELV03024319X (ELSEVIER)S1369-8001(16)30492-9 DE-627 ger DE-627 rakwb eng 530 620 530 DE-600 620 DE-600 690 VZ 56.45 bkl Salazar-Villanueva, M. verfasserin aut Effect of the electronic state of Ti on M-doped TiO2 nanoparticles (M=Zn, Ga or Ge) with high photocatalytic activities: A experimental and DFT molecular study 2017transfer abstract 7 nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier In the pursuit of environmental sustainability, nanomaterials with specific characteristics that can improve the environment by various methods have been developed. In this work, M-doped TiO2 microspheres have been synthesized by a colloidal route and doped with 1% in wt. of M (M=Zn, Ga and Ge). The materials were calcined at 400°C and they were characterized by means X-ray diffraction (XRD) analysis, UV–vis spectroscopy coupled with diffuse reflectance spectroscopy (DRS), N2 physisorption, scanning electron microscopy (SEM) and X-ray photoelectron spectroscopy (XPS). The catalytic activity of the materials was studied by evaluating the photocatalytic degradation of 2,4-dichlorophenoxyacetic acid in an aqueous solution. Moreover the photocatalytic activity of the doped materials were enhanced compared to pristine material, according the next trend:Ge:TiO2 >Ga:TiO2 >Zn:TiO2>TiO2. The presence of atoms of Zn, Ga or Ge in the structure of TiO2 was shown by XPS analysis, indeed these results reveal a diminution of the energy levels of the 2p3/2 and 2p1/2 electrons from doped materials compared with pristine material, which is evidence for a strong relationship between the doped cation valence of the TiO2 and the degradation of the 2,4-dichlorophenoxyacetic acid. Theoretical calculations within DFT framework were performed on two models of nanoparticles like-anatase in order to interpret the photocatalytic activity obtained experimentally by means the frontier orbitals (HOMO and LUMO), the morphology and electronic distribution. In the pursuit of environmental sustainability, nanomaterials with specific characteristics that can improve the environment by various methods have been developed. In this work, M-doped TiO2 microspheres have been synthesized by a colloidal route and doped with 1% in wt. of M (M=Zn, Ga and Ge). The materials were calcined at 400°C and they were characterized by means X-ray diffraction (XRD) analysis, UV–vis spectroscopy coupled with diffuse reflectance spectroscopy (DRS), N2 physisorption, scanning electron microscopy (SEM) and X-ray photoelectron spectroscopy (XPS). The catalytic activity of the materials was studied by evaluating the photocatalytic degradation of 2,4-dichlorophenoxyacetic acid in an aqueous solution. Moreover the photocatalytic activity of the doped materials were enhanced compared to pristine material, according the next trend:Ge:TiO2 >Ga:TiO2 >Zn:TiO2>TiO2. The presence of atoms of Zn, Ga or Ge in the structure of TiO2 was shown by XPS analysis, indeed these results reveal a diminution of the energy levels of the 2p3/2 and 2p1/2 electrons from doped materials compared with pristine material, which is evidence for a strong relationship between the doped cation valence of the TiO2 and the degradation of the 2,4-dichlorophenoxyacetic acid. Theoretical calculations within DFT framework were performed on two models of nanoparticles like-anatase in order to interpret the photocatalytic activity obtained experimentally by means the frontier orbitals (HOMO and LUMO), the morphology and electronic distribution. TiO2 Elsevier Quantum mechanics Elsevier Density Functional Theory Elsevier Doping (Ga, Ge, Zn) Elsevier X-ray photoelectron spectroscopy Elsevier 2,4-Dichlorophenoxyacetic acid Elsevier Cruz-López, A. oth Zaldívar-Cadena, A.A. oth Tovar-Corona, A. oth Guevara-Romero, M.L. oth Vazquez-Cuchillo, O. 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:58 year:2017 pages:8-14 extent:7 https://doi.org/10.1016/j.mssp.2016.10.050 Volltext GBV_USEFLAG_U GBV_ELV SYSFLAG_U 56.45 Baustoffkunde VZ AR 58 2017 8-14 7 045F 530 |
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effect of the electronic state of ti on m-doped tio2 nanoparticles (m=zn, ga or ge) with high photocatalytic activities: a experimental and dft molecular study |
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Effect of the electronic state of Ti on M-doped TiO2 nanoparticles (M=Zn, Ga or Ge) with high photocatalytic activities: A experimental and DFT molecular study |
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In the pursuit of environmental sustainability, nanomaterials with specific characteristics that can improve the environment by various methods have been developed. In this work, M-doped TiO2 microspheres have been synthesized by a colloidal route and doped with 1% in wt. of M (M=Zn, Ga and Ge). The materials were calcined at 400°C and they were characterized by means X-ray diffraction (XRD) analysis, UV–vis spectroscopy coupled with diffuse reflectance spectroscopy (DRS), N2 physisorption, scanning electron microscopy (SEM) and X-ray photoelectron spectroscopy (XPS). The catalytic activity of the materials was studied by evaluating the photocatalytic degradation of 2,4-dichlorophenoxyacetic acid in an aqueous solution. Moreover the photocatalytic activity of the doped materials were enhanced compared to pristine material, according the next trend:Ge:TiO2 >Ga:TiO2 >Zn:TiO2>TiO2. The presence of atoms of Zn, Ga or Ge in the structure of TiO2 was shown by XPS analysis, indeed these results reveal a diminution of the energy levels of the 2p3/2 and 2p1/2 electrons from doped materials compared with pristine material, which is evidence for a strong relationship between the doped cation valence of the TiO2 and the degradation of the 2,4-dichlorophenoxyacetic acid. Theoretical calculations within DFT framework were performed on two models of nanoparticles like-anatase in order to interpret the photocatalytic activity obtained experimentally by means the frontier orbitals (HOMO and LUMO), the morphology and electronic distribution. |
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In the pursuit of environmental sustainability, nanomaterials with specific characteristics that can improve the environment by various methods have been developed. In this work, M-doped TiO2 microspheres have been synthesized by a colloidal route and doped with 1% in wt. of M (M=Zn, Ga and Ge). The materials were calcined at 400°C and they were characterized by means X-ray diffraction (XRD) analysis, UV–vis spectroscopy coupled with diffuse reflectance spectroscopy (DRS), N2 physisorption, scanning electron microscopy (SEM) and X-ray photoelectron spectroscopy (XPS). The catalytic activity of the materials was studied by evaluating the photocatalytic degradation of 2,4-dichlorophenoxyacetic acid in an aqueous solution. Moreover the photocatalytic activity of the doped materials were enhanced compared to pristine material, according the next trend:Ge:TiO2 >Ga:TiO2 >Zn:TiO2>TiO2. The presence of atoms of Zn, Ga or Ge in the structure of TiO2 was shown by XPS analysis, indeed these results reveal a diminution of the energy levels of the 2p3/2 and 2p1/2 electrons from doped materials compared with pristine material, which is evidence for a strong relationship between the doped cation valence of the TiO2 and the degradation of the 2,4-dichlorophenoxyacetic acid. Theoretical calculations within DFT framework were performed on two models of nanoparticles like-anatase in order to interpret the photocatalytic activity obtained experimentally by means the frontier orbitals (HOMO and LUMO), the morphology and electronic distribution. |
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In the pursuit of environmental sustainability, nanomaterials with specific characteristics that can improve the environment by various methods have been developed. In this work, M-doped TiO2 microspheres have been synthesized by a colloidal route and doped with 1% in wt. of M (M=Zn, Ga and Ge). The materials were calcined at 400°C and they were characterized by means X-ray diffraction (XRD) analysis, UV–vis spectroscopy coupled with diffuse reflectance spectroscopy (DRS), N2 physisorption, scanning electron microscopy (SEM) and X-ray photoelectron spectroscopy (XPS). The catalytic activity of the materials was studied by evaluating the photocatalytic degradation of 2,4-dichlorophenoxyacetic acid in an aqueous solution. Moreover the photocatalytic activity of the doped materials were enhanced compared to pristine material, according the next trend:Ge:TiO2 >Ga:TiO2 >Zn:TiO2>TiO2. The presence of atoms of Zn, Ga or Ge in the structure of TiO2 was shown by XPS analysis, indeed these results reveal a diminution of the energy levels of the 2p3/2 and 2p1/2 electrons from doped materials compared with pristine material, which is evidence for a strong relationship between the doped cation valence of the TiO2 and the degradation of the 2,4-dichlorophenoxyacetic acid. Theoretical calculations within DFT framework were performed on two models of nanoparticles like-anatase in order to interpret the photocatalytic activity obtained experimentally by means the frontier orbitals (HOMO and LUMO), the morphology and electronic distribution. |
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Effect of the electronic state of Ti on M-doped TiO2 nanoparticles (M=Zn, Ga or Ge) with high photocatalytic activities: A experimental and DFT molecular study |
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In this work, M-doped TiO2 microspheres have been synthesized by a colloidal route and doped with 1% in wt. of M (M=Zn, Ga and Ge). The materials were calcined at 400°C and they were characterized by means X-ray diffraction (XRD) analysis, UV–vis spectroscopy coupled with diffuse reflectance spectroscopy (DRS), N2 physisorption, scanning electron microscopy (SEM) and X-ray photoelectron spectroscopy (XPS). The catalytic activity of the materials was studied by evaluating the photocatalytic degradation of 2,4-dichlorophenoxyacetic acid in an aqueous solution. Moreover the photocatalytic activity of the doped materials were enhanced compared to pristine material, according the next trend:Ge:TiO2 >Ga:TiO2 >Zn:TiO2>TiO2. The presence of atoms of Zn, Ga or Ge in the structure of TiO2 was shown by XPS analysis, indeed these results reveal a diminution of the energy levels of the 2p3/2 and 2p1/2 electrons from doped materials compared with pristine material, which is evidence for a strong relationship between the doped cation valence of the TiO2 and the degradation of the 2,4-dichlorophenoxyacetic acid. Theoretical calculations within DFT framework were performed on two models of nanoparticles like-anatase in order to interpret the photocatalytic activity obtained experimentally by means the frontier orbitals (HOMO and LUMO), the morphology and electronic distribution.</subfield></datafield><datafield tag="650" ind1=" " ind2="7"><subfield code="a">TiO2</subfield><subfield code="2">Elsevier</subfield></datafield><datafield tag="650" ind1=" " ind2="7"><subfield code="a">Quantum mechanics</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">Doping (Ga, Ge, Zn)</subfield><subfield code="2">Elsevier</subfield></datafield><datafield tag="650" ind1=" " ind2="7"><subfield code="a">X-ray photoelectron spectroscopy</subfield><subfield code="2">Elsevier</subfield></datafield><datafield tag="650" ind1=" " ind2="7"><subfield code="a">2,4-Dichlorophenoxyacetic acid</subfield><subfield code="2">Elsevier</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Cruz-López, A.</subfield><subfield code="4">oth</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Zaldívar-Cadena, A.A.</subfield><subfield code="4">oth</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Tovar-Corona, A.</subfield><subfield code="4">oth</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Guevara-Romero, M.L.</subfield><subfield code="4">oth</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Vazquez-Cuchillo, O.</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:58</subfield><subfield code="g">year:2017</subfield><subfield code="g">pages:8-14</subfield><subfield code="g">extent:7</subfield></datafield><datafield tag="856" ind1="4" ind2="0"><subfield code="u">https://doi.org/10.1016/j.mssp.2016.10.050</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">58</subfield><subfield code="j">2017</subfield><subfield code="h">8-14</subfield><subfield code="g">7</subfield></datafield><datafield tag="953" ind1=" " ind2=" "><subfield code="2">045F</subfield><subfield code="a">530</subfield></datafield></record></collection>
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