Type-II vdW heterojunction SeGa

Two-dimensional (2D) van der Waals (vdW) materials have been widely adopted as photocatalysts in water splitting. Based on the first-principles calculations within screened hybrid functional of Heyd-Scuseria-Ernzerhof (HSE), we find that Janus group-III chalcogenide based vdW heterojunction (SeGa2Te...
Ausführliche Beschreibung

Gespeichert in:

Autor*in:	Min, Jiewen [verfasserIn] Zhou, Mengshi [verfasserIn] Zhang, Chunxiao [verfasserIn] Tang, Chao [verfasserIn] Peng, Xiangyang [verfasserIn] Zhong, Jianxin [verfasserIn]

Format:	E-Artikel
Sprache:	Englisch

Erschienen:	2021

Schlagwörter:	Visible-light-driven photocatalysts Type-II heterojunctions Overpotential Photocatalytic efficiency Vertical strain In-plane strain

Übergeordnetes Werk:	Enthalten in: Physics letters / A - Amsterdam : North-Holland Publ., 1967, 413
Übergeordnetes Werk:	volume:413

DOI / URN:	10.1016/j.physleta.2021.127594

Katalog-ID:	ELV00649546X

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520			\|a Two-dimensional (2D) van der Waals (vdW) materials have been widely adopted as photocatalysts in water splitting. Based on the first-principles calculations within screened hybrid functional of Heyd-Scuseria-Ernzerhof (HSE), we find that Janus group-III chalcogenide based vdW heterojunction (SeGa2Te/SeIn2Se) is a promising visible-light-driven photocatalyst regardless on the stacking configuration. The SeGa2Te/SeIn2Se in AA stacking satisfy the requirement for the band gap under both pH = 0 and pH = 7 according to standard water-splitting mechanism. The notable intrinsic electric field (v-EF) in the AB stacking of SeGa2Te/SeIn2Se alter the band alignment and enhance the overpotentials of the photogenerated carriers to efficiently drive the redox reaction. In both stacking, the type-II band alignment, suitable direct band gaps, high optical absorbance and high power conversion efficiency promote the photocatalytic efficiency. Furthermore, outstanding photocatalytic ability and efficiency are maintained under both vertical and in-plane strains, guaranteeing the application under natural environment.
650		4	\|a Visible-light-driven photocatalysts
650		4	\|a Type-II heterojunctions
650		4	\|a Overpotential
650		4	\|a Photocatalytic efficiency
650		4	\|a Vertical strain
650		4	\|a In-plane strain
700	1		\|a Zhou, Mengshi \|e verfasserin \|4 aut
700	1		\|a Zhang, Chunxiao \|e verfasserin \|0 (orcid)0000-0002-2780-0185 \|4 aut
700	1		\|a Tang, Chao \|e verfasserin \|4 aut
700	1		\|a Peng, Xiangyang \|e verfasserin \|4 aut
700	1		\|a Zhong, Jianxin \|e verfasserin \|4 aut
773	0	8	\|i Enthalten in \|t Physics letters / A \|d Amsterdam : North-Holland Publ., 1967 \|g 413 \|h Online-Ressource \|w (DE-627)266015298 \|w (DE-600)1466603-0 \|w (DE-576)074959905 \|x 1873-2429 \|7 nnns
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allfields	10.1016/j.physleta.2021.127594 doi (DE-627)ELV00649546X (ELSEVIER)S0375-9601(21)00458-8 DE-627 ger DE-627 rda eng 530 DE-600 33.00 bkl Min, Jiewen verfasserin aut Type-II vdW heterojunction SeGa 2021 nicht spezifiziert zzz rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier Two-dimensional (2D) van der Waals (vdW) materials have been widely adopted as photocatalysts in water splitting. Based on the first-principles calculations within screened hybrid functional of Heyd-Scuseria-Ernzerhof (HSE), we find that Janus group-III chalcogenide based vdW heterojunction (SeGa2Te/SeIn2Se) is a promising visible-light-driven photocatalyst regardless on the stacking configuration. The SeGa2Te/SeIn2Se in AA stacking satisfy the requirement for the band gap under both pH = 0 and pH = 7 according to standard water-splitting mechanism. The notable intrinsic electric field (v-EF) in the AB stacking of SeGa2Te/SeIn2Se alter the band alignment and enhance the overpotentials of the photogenerated carriers to efficiently drive the redox reaction. In both stacking, the type-II band alignment, suitable direct band gaps, high optical absorbance and high power conversion efficiency promote the photocatalytic efficiency. Furthermore, outstanding photocatalytic ability and efficiency are maintained under both vertical and in-plane strains, guaranteeing the application under natural environment. Visible-light-driven photocatalysts Type-II heterojunctions Overpotential Photocatalytic efficiency Vertical strain In-plane strain Zhou, Mengshi verfasserin aut Zhang, Chunxiao verfasserin (orcid)0000-0002-2780-0185 aut Tang, Chao verfasserin aut Peng, Xiangyang verfasserin aut Zhong, Jianxin verfasserin aut Enthalten in Physics letters / A Amsterdam : North-Holland Publ., 1967 413 Online-Ressource (DE-627)266015298 (DE-600)1466603-0 (DE-576)074959905 1873-2429 nnns volume:413 GBV_USEFLAG_U SYSFLAG_U GBV_ELV GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_32 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_90 GBV_ILN_95 GBV_ILN_100 GBV_ILN_101 GBV_ILN_105 GBV_ILN_110 GBV_ILN_150 GBV_ILN_151 GBV_ILN_224 GBV_ILN_370 GBV_ILN_602 GBV_ILN_702 GBV_ILN_2003 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2027 GBV_ILN_2034 GBV_ILN_2038 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2056 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2065 GBV_ILN_2068 GBV_ILN_2111 GBV_ILN_2112 GBV_ILN_2113 GBV_ILN_2118 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2147 GBV_ILN_2148 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2190 GBV_ILN_2336 GBV_ILN_2507 GBV_ILN_2522 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4242 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4313 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4326 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4335 GBV_ILN_4338 GBV_ILN_4393 33.00 Physik: Allgemeines AR 413
spelling	10.1016/j.physleta.2021.127594 doi (DE-627)ELV00649546X (ELSEVIER)S0375-9601(21)00458-8 DE-627 ger DE-627 rda eng 530 DE-600 33.00 bkl Min, Jiewen verfasserin aut Type-II vdW heterojunction SeGa 2021 nicht spezifiziert zzz rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier Two-dimensional (2D) van der Waals (vdW) materials have been widely adopted as photocatalysts in water splitting. Based on the first-principles calculations within screened hybrid functional of Heyd-Scuseria-Ernzerhof (HSE), we find that Janus group-III chalcogenide based vdW heterojunction (SeGa2Te/SeIn2Se) is a promising visible-light-driven photocatalyst regardless on the stacking configuration. The SeGa2Te/SeIn2Se in AA stacking satisfy the requirement for the band gap under both pH = 0 and pH = 7 according to standard water-splitting mechanism. The notable intrinsic electric field (v-EF) in the AB stacking of SeGa2Te/SeIn2Se alter the band alignment and enhance the overpotentials of the photogenerated carriers to efficiently drive the redox reaction. In both stacking, the type-II band alignment, suitable direct band gaps, high optical absorbance and high power conversion efficiency promote the photocatalytic efficiency. Furthermore, outstanding photocatalytic ability and efficiency are maintained under both vertical and in-plane strains, guaranteeing the application under natural environment. Visible-light-driven photocatalysts Type-II heterojunctions Overpotential Photocatalytic efficiency Vertical strain In-plane strain Zhou, Mengshi verfasserin aut Zhang, Chunxiao verfasserin (orcid)0000-0002-2780-0185 aut Tang, Chao verfasserin aut Peng, Xiangyang verfasserin aut Zhong, Jianxin verfasserin aut Enthalten in Physics letters / A Amsterdam : North-Holland Publ., 1967 413 Online-Ressource (DE-627)266015298 (DE-600)1466603-0 (DE-576)074959905 1873-2429 nnns volume:413 GBV_USEFLAG_U SYSFLAG_U GBV_ELV GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_32 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_90 GBV_ILN_95 GBV_ILN_100 GBV_ILN_101 GBV_ILN_105 GBV_ILN_110 GBV_ILN_150 GBV_ILN_151 GBV_ILN_224 GBV_ILN_370 GBV_ILN_602 GBV_ILN_702 GBV_ILN_2003 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2027 GBV_ILN_2034 GBV_ILN_2038 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2056 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2065 GBV_ILN_2068 GBV_ILN_2111 GBV_ILN_2112 GBV_ILN_2113 GBV_ILN_2118 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2147 GBV_ILN_2148 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2190 GBV_ILN_2336 GBV_ILN_2507 GBV_ILN_2522 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4242 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4313 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4326 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4335 GBV_ILN_4338 GBV_ILN_4393 33.00 Physik: Allgemeines AR 413
allfields_unstemmed	10.1016/j.physleta.2021.127594 doi (DE-627)ELV00649546X (ELSEVIER)S0375-9601(21)00458-8 DE-627 ger DE-627 rda eng 530 DE-600 33.00 bkl Min, Jiewen verfasserin aut Type-II vdW heterojunction SeGa 2021 nicht spezifiziert zzz rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier Two-dimensional (2D) van der Waals (vdW) materials have been widely adopted as photocatalysts in water splitting. Based on the first-principles calculations within screened hybrid functional of Heyd-Scuseria-Ernzerhof (HSE), we find that Janus group-III chalcogenide based vdW heterojunction (SeGa2Te/SeIn2Se) is a promising visible-light-driven photocatalyst regardless on the stacking configuration. The SeGa2Te/SeIn2Se in AA stacking satisfy the requirement for the band gap under both pH = 0 and pH = 7 according to standard water-splitting mechanism. The notable intrinsic electric field (v-EF) in the AB stacking of SeGa2Te/SeIn2Se alter the band alignment and enhance the overpotentials of the photogenerated carriers to efficiently drive the redox reaction. In both stacking, the type-II band alignment, suitable direct band gaps, high optical absorbance and high power conversion efficiency promote the photocatalytic efficiency. Furthermore, outstanding photocatalytic ability and efficiency are maintained under both vertical and in-plane strains, guaranteeing the application under natural environment. Visible-light-driven photocatalysts Type-II heterojunctions Overpotential Photocatalytic efficiency Vertical strain In-plane strain Zhou, Mengshi verfasserin aut Zhang, Chunxiao verfasserin (orcid)0000-0002-2780-0185 aut Tang, Chao verfasserin aut Peng, Xiangyang verfasserin aut Zhong, Jianxin verfasserin aut Enthalten in Physics letters / A Amsterdam : North-Holland Publ., 1967 413 Online-Ressource (DE-627)266015298 (DE-600)1466603-0 (DE-576)074959905 1873-2429 nnns volume:413 GBV_USEFLAG_U SYSFLAG_U GBV_ELV GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_32 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_90 GBV_ILN_95 GBV_ILN_100 GBV_ILN_101 GBV_ILN_105 GBV_ILN_110 GBV_ILN_150 GBV_ILN_151 GBV_ILN_224 GBV_ILN_370 GBV_ILN_602 GBV_ILN_702 GBV_ILN_2003 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2027 GBV_ILN_2034 GBV_ILN_2038 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2056 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2065 GBV_ILN_2068 GBV_ILN_2111 GBV_ILN_2112 GBV_ILN_2113 GBV_ILN_2118 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2147 GBV_ILN_2148 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2190 GBV_ILN_2336 GBV_ILN_2507 GBV_ILN_2522 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4242 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4313 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4326 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4335 GBV_ILN_4338 GBV_ILN_4393 33.00 Physik: Allgemeines AR 413
allfieldsGer	10.1016/j.physleta.2021.127594 doi (DE-627)ELV00649546X (ELSEVIER)S0375-9601(21)00458-8 DE-627 ger DE-627 rda eng 530 DE-600 33.00 bkl Min, Jiewen verfasserin aut Type-II vdW heterojunction SeGa 2021 nicht spezifiziert zzz rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier Two-dimensional (2D) van der Waals (vdW) materials have been widely adopted as photocatalysts in water splitting. Based on the first-principles calculations within screened hybrid functional of Heyd-Scuseria-Ernzerhof (HSE), we find that Janus group-III chalcogenide based vdW heterojunction (SeGa2Te/SeIn2Se) is a promising visible-light-driven photocatalyst regardless on the stacking configuration. The SeGa2Te/SeIn2Se in AA stacking satisfy the requirement for the band gap under both pH = 0 and pH = 7 according to standard water-splitting mechanism. The notable intrinsic electric field (v-EF) in the AB stacking of SeGa2Te/SeIn2Se alter the band alignment and enhance the overpotentials of the photogenerated carriers to efficiently drive the redox reaction. In both stacking, the type-II band alignment, suitable direct band gaps, high optical absorbance and high power conversion efficiency promote the photocatalytic efficiency. Furthermore, outstanding photocatalytic ability and efficiency are maintained under both vertical and in-plane strains, guaranteeing the application under natural environment. Visible-light-driven photocatalysts Type-II heterojunctions Overpotential Photocatalytic efficiency Vertical strain In-plane strain Zhou, Mengshi verfasserin aut Zhang, Chunxiao verfasserin (orcid)0000-0002-2780-0185 aut Tang, Chao verfasserin aut Peng, Xiangyang verfasserin aut Zhong, Jianxin verfasserin aut Enthalten in Physics letters / A Amsterdam : North-Holland Publ., 1967 413 Online-Ressource (DE-627)266015298 (DE-600)1466603-0 (DE-576)074959905 1873-2429 nnns volume:413 GBV_USEFLAG_U SYSFLAG_U GBV_ELV GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_32 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_90 GBV_ILN_95 GBV_ILN_100 GBV_ILN_101 GBV_ILN_105 GBV_ILN_110 GBV_ILN_150 GBV_ILN_151 GBV_ILN_224 GBV_ILN_370 GBV_ILN_602 GBV_ILN_702 GBV_ILN_2003 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2027 GBV_ILN_2034 GBV_ILN_2038 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2056 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2065 GBV_ILN_2068 GBV_ILN_2111 GBV_ILN_2112 GBV_ILN_2113 GBV_ILN_2118 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2147 GBV_ILN_2148 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2190 GBV_ILN_2336 GBV_ILN_2507 GBV_ILN_2522 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4242 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4313 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4326 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4335 GBV_ILN_4338 GBV_ILN_4393 33.00 Physik: Allgemeines AR 413
allfieldsSound	10.1016/j.physleta.2021.127594 doi (DE-627)ELV00649546X (ELSEVIER)S0375-9601(21)00458-8 DE-627 ger DE-627 rda eng 530 DE-600 33.00 bkl Min, Jiewen verfasserin aut Type-II vdW heterojunction SeGa 2021 nicht spezifiziert zzz rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier Two-dimensional (2D) van der Waals (vdW) materials have been widely adopted as photocatalysts in water splitting. Based on the first-principles calculations within screened hybrid functional of Heyd-Scuseria-Ernzerhof (HSE), we find that Janus group-III chalcogenide based vdW heterojunction (SeGa2Te/SeIn2Se) is a promising visible-light-driven photocatalyst regardless on the stacking configuration. The SeGa2Te/SeIn2Se in AA stacking satisfy the requirement for the band gap under both pH = 0 and pH = 7 according to standard water-splitting mechanism. The notable intrinsic electric field (v-EF) in the AB stacking of SeGa2Te/SeIn2Se alter the band alignment and enhance the overpotentials of the photogenerated carriers to efficiently drive the redox reaction. In both stacking, the type-II band alignment, suitable direct band gaps, high optical absorbance and high power conversion efficiency promote the photocatalytic efficiency. Furthermore, outstanding photocatalytic ability and efficiency are maintained under both vertical and in-plane strains, guaranteeing the application under natural environment. Visible-light-driven photocatalysts Type-II heterojunctions Overpotential Photocatalytic efficiency Vertical strain In-plane strain Zhou, Mengshi verfasserin aut Zhang, Chunxiao verfasserin (orcid)0000-0002-2780-0185 aut Tang, Chao verfasserin aut Peng, Xiangyang verfasserin aut Zhong, Jianxin verfasserin aut Enthalten in Physics letters / A Amsterdam : North-Holland Publ., 1967 413 Online-Ressource (DE-627)266015298 (DE-600)1466603-0 (DE-576)074959905 1873-2429 nnns volume:413 GBV_USEFLAG_U SYSFLAG_U GBV_ELV GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_32 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_90 GBV_ILN_95 GBV_ILN_100 GBV_ILN_101 GBV_ILN_105 GBV_ILN_110 GBV_ILN_150 GBV_ILN_151 GBV_ILN_224 GBV_ILN_370 GBV_ILN_602 GBV_ILN_702 GBV_ILN_2003 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2027 GBV_ILN_2034 GBV_ILN_2038 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2056 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2065 GBV_ILN_2068 GBV_ILN_2111 GBV_ILN_2112 GBV_ILN_2113 GBV_ILN_2118 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2147 GBV_ILN_2148 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2190 GBV_ILN_2336 GBV_ILN_2507 GBV_ILN_2522 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4242 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4313 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4326 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4335 GBV_ILN_4338 GBV_ILN_4393 33.00 Physik: Allgemeines AR 413
language	English
source	Enthalten in Physics letters / A 413 volume:413
sourceStr	Enthalten in Physics letters / A 413 volume:413
format_phy_str_mv	Article
bklname	Physik: Allgemeines
institution	findex.gbv.de
topic_facet	Visible-light-driven photocatalysts Type-II heterojunctions Overpotential Photocatalytic efficiency Vertical strain In-plane strain
dewey-raw	530
isfreeaccess_bool	false
container_title	Physics letters / A
authorswithroles_txt_mv	Min, Jiewen @@aut@@ Zhou, Mengshi @@aut@@ Zhang, Chunxiao @@aut@@ Tang, Chao @@aut@@ Peng, Xiangyang @@aut@@ Zhong, Jianxin @@aut@@
publishDateDaySort_date	2021-01-01T00:00:00Z
hierarchy_top_id	266015298
dewey-sort	3530
id	ELV00649546X
language_de	englisch
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author	Min, Jiewen
spellingShingle	Min, Jiewen ddc 530 bkl 33.00 misc Visible-light-driven photocatalysts misc Type-II heterojunctions misc Overpotential misc Photocatalytic efficiency misc Vertical strain misc In-plane strain Type-II vdW heterojunction SeGa
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topic_title	530 DE-600 33.00 bkl Type-II vdW heterojunction SeGa Visible-light-driven photocatalysts Type-II heterojunctions Overpotential Photocatalytic efficiency Vertical strain In-plane strain
topic	ddc 530 bkl 33.00 misc Visible-light-driven photocatalysts misc Type-II heterojunctions misc Overpotential misc Photocatalytic efficiency misc Vertical strain misc In-plane strain
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title	Type-II vdW heterojunction SeGa
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title_full	Type-II vdW heterojunction SeGa
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title_sort	type-ii vdw heterojunction sega
title_auth	Type-II vdW heterojunction SeGa
abstract	Two-dimensional (2D) van der Waals (vdW) materials have been widely adopted as photocatalysts in water splitting. Based on the first-principles calculations within screened hybrid functional of Heyd-Scuseria-Ernzerhof (HSE), we find that Janus group-III chalcogenide based vdW heterojunction (SeGa2Te/SeIn2Se) is a promising visible-light-driven photocatalyst regardless on the stacking configuration. The SeGa2Te/SeIn2Se in AA stacking satisfy the requirement for the band gap under both pH = 0 and pH = 7 according to standard water-splitting mechanism. The notable intrinsic electric field (v-EF) in the AB stacking of SeGa2Te/SeIn2Se alter the band alignment and enhance the overpotentials of the photogenerated carriers to efficiently drive the redox reaction. In both stacking, the type-II band alignment, suitable direct band gaps, high optical absorbance and high power conversion efficiency promote the photocatalytic efficiency. Furthermore, outstanding photocatalytic ability and efficiency are maintained under both vertical and in-plane strains, guaranteeing the application under natural environment.
abstractGer	Two-dimensional (2D) van der Waals (vdW) materials have been widely adopted as photocatalysts in water splitting. Based on the first-principles calculations within screened hybrid functional of Heyd-Scuseria-Ernzerhof (HSE), we find that Janus group-III chalcogenide based vdW heterojunction (SeGa2Te/SeIn2Se) is a promising visible-light-driven photocatalyst regardless on the stacking configuration. The SeGa2Te/SeIn2Se in AA stacking satisfy the requirement for the band gap under both pH = 0 and pH = 7 according to standard water-splitting mechanism. The notable intrinsic electric field (v-EF) in the AB stacking of SeGa2Te/SeIn2Se alter the band alignment and enhance the overpotentials of the photogenerated carriers to efficiently drive the redox reaction. In both stacking, the type-II band alignment, suitable direct band gaps, high optical absorbance and high power conversion efficiency promote the photocatalytic efficiency. Furthermore, outstanding photocatalytic ability and efficiency are maintained under both vertical and in-plane strains, guaranteeing the application under natural environment.
abstract_unstemmed	Two-dimensional (2D) van der Waals (vdW) materials have been widely adopted as photocatalysts in water splitting. Based on the first-principles calculations within screened hybrid functional of Heyd-Scuseria-Ernzerhof (HSE), we find that Janus group-III chalcogenide based vdW heterojunction (SeGa2Te/SeIn2Se) is a promising visible-light-driven photocatalyst regardless on the stacking configuration. The SeGa2Te/SeIn2Se in AA stacking satisfy the requirement for the band gap under both pH = 0 and pH = 7 according to standard water-splitting mechanism. The notable intrinsic electric field (v-EF) in the AB stacking of SeGa2Te/SeIn2Se alter the band alignment and enhance the overpotentials of the photogenerated carriers to efficiently drive the redox reaction. In both stacking, the type-II band alignment, suitable direct band gaps, high optical absorbance and high power conversion efficiency promote the photocatalytic efficiency. Furthermore, outstanding photocatalytic ability and efficiency are maintained under both vertical and in-plane strains, guaranteeing the application under natural environment.
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title_short	Type-II vdW heterojunction SeGa
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author2	Zhou, Mengshi Zhang, Chunxiao Tang, Chao Peng, Xiangyang Zhong, Jianxin
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doi_str	10.1016/j.physleta.2021.127594
up_date	2024-07-06T21:34:29.575Z
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score	7.39787

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Type-II vdW heterojunction SeGa

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