Thermal properties of monolayer MoS2 and WS2/MoS2 heterojunction under three strain states
In this paper, the thermal properties of single-layer MoS2 and WS2/MoS2 heterostructure under three strain states are systematically studied. The first-principles calculation method based on density functional theory is used to obtain the phonon dispersion curves and related thermal parameters of cr...
Ausführliche Beschreibung
Autor*in: |
Wang, Duo [verfasserIn] |
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E-Artikel |
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Englisch |
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2021transfer abstract |
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Übergeordnetes Werk: |
Enthalten in: Selection of the highly replicative and partially multidrug resistant rtS78T HBV polymerase mutation during TDF-ETV combination therapy - Shirvani-Dastgerdi, Elham ELSEVIER, 2017, a journal devoted to experimental and theoretical research involving problems of both a chemical and physical nature, Amsterdam [u.a.] |
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Übergeordnetes Werk: |
volume:549 ; year:2021 ; day:1 ; month:09 ; pages:0 |
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DOI / URN: |
10.1016/j.chemphys.2021.111260 |
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520 | |a In this paper, the thermal properties of single-layer MoS2 and WS2/MoS2 heterostructure under three strain states are systematically studied. The first-principles calculation method based on density functional theory is used to obtain the phonon dispersion curves and related thermal parameters of crystals. The results show that Van der Waals cleaves phonons only in the vertical direction. The thermal properties of the two crystals are changed by the application of biaxial compressive strain. Taking the monolayer MoS2 as an example, the curves of the heat capacity and the Debye characteristic temperature of the monolayer MoS2 under the three strain states of biaxial tension, biaxial compression and biaxial tension and compression are comprehensively analyzed. It is found that the thermal properties of the crystal will change differently in different strain states. And at high temperatures, the heat capacity is more sensitive to the effect of strain. | ||
520 | |a In this paper, the thermal properties of single-layer MoS2 and WS2/MoS2 heterostructure under three strain states are systematically studied. The first-principles calculation method based on density functional theory is used to obtain the phonon dispersion curves and related thermal parameters of crystals. The results show that Van der Waals cleaves phonons only in the vertical direction. The thermal properties of the two crystals are changed by the application of biaxial compressive strain. Taking the monolayer MoS2 as an example, the curves of the heat capacity and the Debye characteristic temperature of the monolayer MoS2 under the three strain states of biaxial tension, biaxial compression and biaxial tension and compression are comprehensively analyzed. It is found that the thermal properties of the crystal will change differently in different strain states. And at high temperatures, the heat capacity is more sensitive to the effect of strain. | ||
650 | 7 | |a Monolayer MoS2 |2 Elsevier | |
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10.1016/j.chemphys.2021.111260 doi /cbs_pica/cbs_olc/import_discovery/elsevier/einzuspielen/GBV00000000001451.pica (DE-627)ELV054614457 (ELSEVIER)S0301-0104(21)00171-3 DE-627 ger DE-627 rakwb eng 610 VZ 610 VZ 44.44 bkl Wang, Duo verfasserin aut Thermal properties of monolayer MoS2 and WS2/MoS2 heterojunction under three strain states 2021transfer abstract nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier In this paper, the thermal properties of single-layer MoS2 and WS2/MoS2 heterostructure under three strain states are systematically studied. The first-principles calculation method based on density functional theory is used to obtain the phonon dispersion curves and related thermal parameters of crystals. The results show that Van der Waals cleaves phonons only in the vertical direction. The thermal properties of the two crystals are changed by the application of biaxial compressive strain. Taking the monolayer MoS2 as an example, the curves of the heat capacity and the Debye characteristic temperature of the monolayer MoS2 under the three strain states of biaxial tension, biaxial compression and biaxial tension and compression are comprehensively analyzed. It is found that the thermal properties of the crystal will change differently in different strain states. And at high temperatures, the heat capacity is more sensitive to the effect of strain. In this paper, the thermal properties of single-layer MoS2 and WS2/MoS2 heterostructure under three strain states are systematically studied. The first-principles calculation method based on density functional theory is used to obtain the phonon dispersion curves and related thermal parameters of crystals. The results show that Van der Waals cleaves phonons only in the vertical direction. The thermal properties of the two crystals are changed by the application of biaxial compressive strain. Taking the monolayer MoS2 as an example, the curves of the heat capacity and the Debye characteristic temperature of the monolayer MoS2 under the three strain states of biaxial tension, biaxial compression and biaxial tension and compression are comprehensively analyzed. It is found that the thermal properties of the crystal will change differently in different strain states. And at high temperatures, the heat capacity is more sensitive to the effect of strain. Monolayer MoS2 Elsevier Density functional theory Elsevier WS2/MoS2 heterojunction Elsevier Thermal Elsevier Yang, Lu oth Cao, Jianan oth Enthalten in Elsevier Science Shirvani-Dastgerdi, Elham ELSEVIER Selection of the highly replicative and partially multidrug resistant rtS78T HBV polymerase mutation during TDF-ETV combination therapy 2017 a journal devoted to experimental and theoretical research involving problems of both a chemical and physical nature Amsterdam [u.a.] (DE-627)ELV014889730 volume:549 year:2021 day:1 month:09 pages:0 https://doi.org/10.1016/j.chemphys.2021.111260 Volltext GBV_USEFLAG_U GBV_ELV SYSFLAG_U SSG-OLC-PHA GBV_ILN_31 GBV_ILN_40 44.44 Parasitologie Medizin VZ AR 549 2021 1 0901 0 |
spelling |
10.1016/j.chemphys.2021.111260 doi /cbs_pica/cbs_olc/import_discovery/elsevier/einzuspielen/GBV00000000001451.pica (DE-627)ELV054614457 (ELSEVIER)S0301-0104(21)00171-3 DE-627 ger DE-627 rakwb eng 610 VZ 610 VZ 44.44 bkl Wang, Duo verfasserin aut Thermal properties of monolayer MoS2 and WS2/MoS2 heterojunction under three strain states 2021transfer abstract nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier In this paper, the thermal properties of single-layer MoS2 and WS2/MoS2 heterostructure under three strain states are systematically studied. The first-principles calculation method based on density functional theory is used to obtain the phonon dispersion curves and related thermal parameters of crystals. The results show that Van der Waals cleaves phonons only in the vertical direction. The thermal properties of the two crystals are changed by the application of biaxial compressive strain. Taking the monolayer MoS2 as an example, the curves of the heat capacity and the Debye characteristic temperature of the monolayer MoS2 under the three strain states of biaxial tension, biaxial compression and biaxial tension and compression are comprehensively analyzed. It is found that the thermal properties of the crystal will change differently in different strain states. And at high temperatures, the heat capacity is more sensitive to the effect of strain. In this paper, the thermal properties of single-layer MoS2 and WS2/MoS2 heterostructure under three strain states are systematically studied. The first-principles calculation method based on density functional theory is used to obtain the phonon dispersion curves and related thermal parameters of crystals. The results show that Van der Waals cleaves phonons only in the vertical direction. The thermal properties of the two crystals are changed by the application of biaxial compressive strain. Taking the monolayer MoS2 as an example, the curves of the heat capacity and the Debye characteristic temperature of the monolayer MoS2 under the three strain states of biaxial tension, biaxial compression and biaxial tension and compression are comprehensively analyzed. It is found that the thermal properties of the crystal will change differently in different strain states. And at high temperatures, the heat capacity is more sensitive to the effect of strain. Monolayer MoS2 Elsevier Density functional theory Elsevier WS2/MoS2 heterojunction Elsevier Thermal Elsevier Yang, Lu oth Cao, Jianan oth Enthalten in Elsevier Science Shirvani-Dastgerdi, Elham ELSEVIER Selection of the highly replicative and partially multidrug resistant rtS78T HBV polymerase mutation during TDF-ETV combination therapy 2017 a journal devoted to experimental and theoretical research involving problems of both a chemical and physical nature Amsterdam [u.a.] (DE-627)ELV014889730 volume:549 year:2021 day:1 month:09 pages:0 https://doi.org/10.1016/j.chemphys.2021.111260 Volltext GBV_USEFLAG_U GBV_ELV SYSFLAG_U SSG-OLC-PHA GBV_ILN_31 GBV_ILN_40 44.44 Parasitologie Medizin VZ AR 549 2021 1 0901 0 |
allfields_unstemmed |
10.1016/j.chemphys.2021.111260 doi /cbs_pica/cbs_olc/import_discovery/elsevier/einzuspielen/GBV00000000001451.pica (DE-627)ELV054614457 (ELSEVIER)S0301-0104(21)00171-3 DE-627 ger DE-627 rakwb eng 610 VZ 610 VZ 44.44 bkl Wang, Duo verfasserin aut Thermal properties of monolayer MoS2 and WS2/MoS2 heterojunction under three strain states 2021transfer abstract nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier In this paper, the thermal properties of single-layer MoS2 and WS2/MoS2 heterostructure under three strain states are systematically studied. The first-principles calculation method based on density functional theory is used to obtain the phonon dispersion curves and related thermal parameters of crystals. The results show that Van der Waals cleaves phonons only in the vertical direction. The thermal properties of the two crystals are changed by the application of biaxial compressive strain. Taking the monolayer MoS2 as an example, the curves of the heat capacity and the Debye characteristic temperature of the monolayer MoS2 under the three strain states of biaxial tension, biaxial compression and biaxial tension and compression are comprehensively analyzed. It is found that the thermal properties of the crystal will change differently in different strain states. And at high temperatures, the heat capacity is more sensitive to the effect of strain. In this paper, the thermal properties of single-layer MoS2 and WS2/MoS2 heterostructure under three strain states are systematically studied. The first-principles calculation method based on density functional theory is used to obtain the phonon dispersion curves and related thermal parameters of crystals. The results show that Van der Waals cleaves phonons only in the vertical direction. The thermal properties of the two crystals are changed by the application of biaxial compressive strain. Taking the monolayer MoS2 as an example, the curves of the heat capacity and the Debye characteristic temperature of the monolayer MoS2 under the three strain states of biaxial tension, biaxial compression and biaxial tension and compression are comprehensively analyzed. It is found that the thermal properties of the crystal will change differently in different strain states. And at high temperatures, the heat capacity is more sensitive to the effect of strain. Monolayer MoS2 Elsevier Density functional theory Elsevier WS2/MoS2 heterojunction Elsevier Thermal Elsevier Yang, Lu oth Cao, Jianan oth Enthalten in Elsevier Science Shirvani-Dastgerdi, Elham ELSEVIER Selection of the highly replicative and partially multidrug resistant rtS78T HBV polymerase mutation during TDF-ETV combination therapy 2017 a journal devoted to experimental and theoretical research involving problems of both a chemical and physical nature Amsterdam [u.a.] (DE-627)ELV014889730 volume:549 year:2021 day:1 month:09 pages:0 https://doi.org/10.1016/j.chemphys.2021.111260 Volltext GBV_USEFLAG_U GBV_ELV SYSFLAG_U SSG-OLC-PHA GBV_ILN_31 GBV_ILN_40 44.44 Parasitologie Medizin VZ AR 549 2021 1 0901 0 |
allfieldsGer |
10.1016/j.chemphys.2021.111260 doi /cbs_pica/cbs_olc/import_discovery/elsevier/einzuspielen/GBV00000000001451.pica (DE-627)ELV054614457 (ELSEVIER)S0301-0104(21)00171-3 DE-627 ger DE-627 rakwb eng 610 VZ 610 VZ 44.44 bkl Wang, Duo verfasserin aut Thermal properties of monolayer MoS2 and WS2/MoS2 heterojunction under three strain states 2021transfer abstract nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier In this paper, the thermal properties of single-layer MoS2 and WS2/MoS2 heterostructure under three strain states are systematically studied. The first-principles calculation method based on density functional theory is used to obtain the phonon dispersion curves and related thermal parameters of crystals. The results show that Van der Waals cleaves phonons only in the vertical direction. The thermal properties of the two crystals are changed by the application of biaxial compressive strain. Taking the monolayer MoS2 as an example, the curves of the heat capacity and the Debye characteristic temperature of the monolayer MoS2 under the three strain states of biaxial tension, biaxial compression and biaxial tension and compression are comprehensively analyzed. It is found that the thermal properties of the crystal will change differently in different strain states. And at high temperatures, the heat capacity is more sensitive to the effect of strain. In this paper, the thermal properties of single-layer MoS2 and WS2/MoS2 heterostructure under three strain states are systematically studied. The first-principles calculation method based on density functional theory is used to obtain the phonon dispersion curves and related thermal parameters of crystals. The results show that Van der Waals cleaves phonons only in the vertical direction. The thermal properties of the two crystals are changed by the application of biaxial compressive strain. Taking the monolayer MoS2 as an example, the curves of the heat capacity and the Debye characteristic temperature of the monolayer MoS2 under the three strain states of biaxial tension, biaxial compression and biaxial tension and compression are comprehensively analyzed. It is found that the thermal properties of the crystal will change differently in different strain states. And at high temperatures, the heat capacity is more sensitive to the effect of strain. Monolayer MoS2 Elsevier Density functional theory Elsevier WS2/MoS2 heterojunction Elsevier Thermal Elsevier Yang, Lu oth Cao, Jianan oth Enthalten in Elsevier Science Shirvani-Dastgerdi, Elham ELSEVIER Selection of the highly replicative and partially multidrug resistant rtS78T HBV polymerase mutation during TDF-ETV combination therapy 2017 a journal devoted to experimental and theoretical research involving problems of both a chemical and physical nature Amsterdam [u.a.] (DE-627)ELV014889730 volume:549 year:2021 day:1 month:09 pages:0 https://doi.org/10.1016/j.chemphys.2021.111260 Volltext GBV_USEFLAG_U GBV_ELV SYSFLAG_U SSG-OLC-PHA GBV_ILN_31 GBV_ILN_40 44.44 Parasitologie Medizin VZ AR 549 2021 1 0901 0 |
allfieldsSound |
10.1016/j.chemphys.2021.111260 doi /cbs_pica/cbs_olc/import_discovery/elsevier/einzuspielen/GBV00000000001451.pica (DE-627)ELV054614457 (ELSEVIER)S0301-0104(21)00171-3 DE-627 ger DE-627 rakwb eng 610 VZ 610 VZ 44.44 bkl Wang, Duo verfasserin aut Thermal properties of monolayer MoS2 and WS2/MoS2 heterojunction under three strain states 2021transfer abstract nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier In this paper, the thermal properties of single-layer MoS2 and WS2/MoS2 heterostructure under three strain states are systematically studied. The first-principles calculation method based on density functional theory is used to obtain the phonon dispersion curves and related thermal parameters of crystals. The results show that Van der Waals cleaves phonons only in the vertical direction. The thermal properties of the two crystals are changed by the application of biaxial compressive strain. Taking the monolayer MoS2 as an example, the curves of the heat capacity and the Debye characteristic temperature of the monolayer MoS2 under the three strain states of biaxial tension, biaxial compression and biaxial tension and compression are comprehensively analyzed. It is found that the thermal properties of the crystal will change differently in different strain states. And at high temperatures, the heat capacity is more sensitive to the effect of strain. In this paper, the thermal properties of single-layer MoS2 and WS2/MoS2 heterostructure under three strain states are systematically studied. The first-principles calculation method based on density functional theory is used to obtain the phonon dispersion curves and related thermal parameters of crystals. The results show that Van der Waals cleaves phonons only in the vertical direction. The thermal properties of the two crystals are changed by the application of biaxial compressive strain. Taking the monolayer MoS2 as an example, the curves of the heat capacity and the Debye characteristic temperature of the monolayer MoS2 under the three strain states of biaxial tension, biaxial compression and biaxial tension and compression are comprehensively analyzed. It is found that the thermal properties of the crystal will change differently in different strain states. And at high temperatures, the heat capacity is more sensitive to the effect of strain. Monolayer MoS2 Elsevier Density functional theory Elsevier WS2/MoS2 heterojunction Elsevier Thermal Elsevier Yang, Lu oth Cao, Jianan oth Enthalten in Elsevier Science Shirvani-Dastgerdi, Elham ELSEVIER Selection of the highly replicative and partially multidrug resistant rtS78T HBV polymerase mutation during TDF-ETV combination therapy 2017 a journal devoted to experimental and theoretical research involving problems of both a chemical and physical nature Amsterdam [u.a.] (DE-627)ELV014889730 volume:549 year:2021 day:1 month:09 pages:0 https://doi.org/10.1016/j.chemphys.2021.111260 Volltext GBV_USEFLAG_U GBV_ELV SYSFLAG_U SSG-OLC-PHA GBV_ILN_31 GBV_ILN_40 44.44 Parasitologie Medizin VZ AR 549 2021 1 0901 0 |
language |
English |
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Enthalten in Selection of the highly replicative and partially multidrug resistant rtS78T HBV polymerase mutation during TDF-ETV combination therapy Amsterdam [u.a.] volume:549 year:2021 day:1 month:09 pages:0 |
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Enthalten in Selection of the highly replicative and partially multidrug resistant rtS78T HBV polymerase mutation during TDF-ETV combination therapy Amsterdam [u.a.] volume:549 year:2021 day:1 month:09 pages:0 |
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Selection of the highly replicative and partially multidrug resistant rtS78T HBV polymerase mutation during TDF-ETV combination therapy |
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The first-principles calculation method based on density functional theory is used to obtain the phonon dispersion curves and related thermal parameters of crystals. The results show that Van der Waals cleaves phonons only in the vertical direction. The thermal properties of the two crystals are changed by the application of biaxial compressive strain. Taking the monolayer MoS2 as an example, the curves of the heat capacity and the Debye characteristic temperature of the monolayer MoS2 under the three strain states of biaxial tension, biaxial compression and biaxial tension and compression are comprehensively analyzed. It is found that the thermal properties of the crystal will change differently in different strain states. And at high temperatures, the heat capacity is more sensitive to the effect of strain.</subfield></datafield><datafield tag="520" ind1=" " ind2=" "><subfield code="a">In this paper, the thermal properties of single-layer MoS2 and WS2/MoS2 heterostructure under three strain states are systematically studied. The first-principles calculation method based on density functional theory is used to obtain the phonon dispersion curves and related thermal parameters of crystals. The results show that Van der Waals cleaves phonons only in the vertical direction. The thermal properties of the two crystals are changed by the application of biaxial compressive strain. Taking the monolayer MoS2 as an example, the curves of the heat capacity and the Debye characteristic temperature of the monolayer MoS2 under the three strain states of biaxial tension, biaxial compression and biaxial tension and compression are comprehensively analyzed. It is found that the thermal properties of the crystal will change differently in different strain states. 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thermal properties of monolayer mos2 and ws2/mos2 heterojunction under three strain states |
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Thermal properties of monolayer MoS2 and WS2/MoS2 heterojunction under three strain states |
abstract |
In this paper, the thermal properties of single-layer MoS2 and WS2/MoS2 heterostructure under three strain states are systematically studied. The first-principles calculation method based on density functional theory is used to obtain the phonon dispersion curves and related thermal parameters of crystals. The results show that Van der Waals cleaves phonons only in the vertical direction. The thermal properties of the two crystals are changed by the application of biaxial compressive strain. Taking the monolayer MoS2 as an example, the curves of the heat capacity and the Debye characteristic temperature of the monolayer MoS2 under the three strain states of biaxial tension, biaxial compression and biaxial tension and compression are comprehensively analyzed. It is found that the thermal properties of the crystal will change differently in different strain states. And at high temperatures, the heat capacity is more sensitive to the effect of strain. |
abstractGer |
In this paper, the thermal properties of single-layer MoS2 and WS2/MoS2 heterostructure under three strain states are systematically studied. The first-principles calculation method based on density functional theory is used to obtain the phonon dispersion curves and related thermal parameters of crystals. The results show that Van der Waals cleaves phonons only in the vertical direction. The thermal properties of the two crystals are changed by the application of biaxial compressive strain. Taking the monolayer MoS2 as an example, the curves of the heat capacity and the Debye characteristic temperature of the monolayer MoS2 under the three strain states of biaxial tension, biaxial compression and biaxial tension and compression are comprehensively analyzed. It is found that the thermal properties of the crystal will change differently in different strain states. And at high temperatures, the heat capacity is more sensitive to the effect of strain. |
abstract_unstemmed |
In this paper, the thermal properties of single-layer MoS2 and WS2/MoS2 heterostructure under three strain states are systematically studied. The first-principles calculation method based on density functional theory is used to obtain the phonon dispersion curves and related thermal parameters of crystals. The results show that Van der Waals cleaves phonons only in the vertical direction. The thermal properties of the two crystals are changed by the application of biaxial compressive strain. Taking the monolayer MoS2 as an example, the curves of the heat capacity and the Debye characteristic temperature of the monolayer MoS2 under the three strain states of biaxial tension, biaxial compression and biaxial tension and compression are comprehensively analyzed. It is found that the thermal properties of the crystal will change differently in different strain states. And at high temperatures, the heat capacity is more sensitive to the effect of strain. |
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title_short |
Thermal properties of monolayer MoS2 and WS2/MoS2 heterojunction under three strain states |
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https://doi.org/10.1016/j.chemphys.2021.111260 |
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