Manipulating the Electronic Properties of Gas-Adsorbed Monolayer GeSe by External Electric Field

The electronic and sensing properties of monolayer GeSe with the adsorption of various gas molecules ($ H_{2} $O, CO, $ NH_{3} $, NO, and $ NO_{2} $) under a vertical external electric field ranging from −0.8 V/Å to 0.8 V/Å were investigated by using first-principles calculations. The bandgaps of th...
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Autor*in:	Zhuang, Qinqin [verfasserIn] Mu, Ruizhen Lin, Haifeng Xiong, Feibing Yang, Weihuang

Format:	E-Artikel
Sprache:	Englisch

Erschienen:	2022

Schlagwörter:	Monolayer GeSe adsorption of gas molecules electric field first-principles calculations

Anmerkung:	© The Minerals, Metals & Materials Society 2022

Übergeordnetes Werk:	Enthalten in: Journal of electronic materials - Warrendale, Pa : TMS, 1972, 51(2022), 3 vom: 04. Jan., Seite 1232-1240
Übergeordnetes Werk:	volume:51 ; year:2022 ; number:3 ; day:04 ; month:01 ; pages:1232-1240

Links:	Volltext

DOI / URN:	10.1007/s11664-021-09355-z

Katalog-ID:	SPR046156593

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520			\|a The electronic and sensing properties of monolayer GeSe with the adsorption of various gas molecules ($ H_{2} $O, CO, $ NH_{3} $, NO, and $ NO_{2} $) under a vertical external electric field ranging from −0.8 V/Å to 0.8 V/Å were investigated by using first-principles calculations. The bandgaps of the pristine and gas-adsorbed systems all decreased in the presence of electric fields, especially a negative field. At the same time, the negative electric field caused two and one impurity states in the band gap of CO- and $ NO_{2} $ -adsorbed monolayer GeSe, respectively, which played an important role in manipulating the optoelectronic properties of the materials. By enhancing the adsorption ability and charge transfer, applying a relatively strong negative electric field can effectively improve the sensitivity of monolayer GeSe to $ NH_{3} $ molecules. Therefore, an external electric field is highly preferred and provides a practicable approach for controllable monolayer GeSe-based electronic devices and gas sensors. Graphical Abstract
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allfields	10.1007/s11664-021-09355-z doi (DE-627)SPR046156593 (SPR)s11664-021-09355-z-e DE-627 ger DE-627 rakwb eng Zhuang, Qinqin verfasserin aut Manipulating the Electronic Properties of Gas-Adsorbed Monolayer GeSe by External Electric Field 2022 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier © The Minerals, Metals & Materials Society 2022 The electronic and sensing properties of monolayer GeSe with the adsorption of various gas molecules ($ H_{2} $O, CO, $ NH_{3} $, NO, and $ NO_{2} $) under a vertical external electric field ranging from −0.8 V/Å to 0.8 V/Å were investigated by using first-principles calculations. The bandgaps of the pristine and gas-adsorbed systems all decreased in the presence of electric fields, especially a negative field. At the same time, the negative electric field caused two and one impurity states in the band gap of CO- and $ NO_{2} $ -adsorbed monolayer GeSe, respectively, which played an important role in manipulating the optoelectronic properties of the materials. By enhancing the adsorption ability and charge transfer, applying a relatively strong negative electric field can effectively improve the sensitivity of monolayer GeSe to $ NH_{3} $ molecules. Therefore, an external electric field is highly preferred and provides a practicable approach for controllable monolayer GeSe-based electronic devices and gas sensors. Graphical Abstract Monolayer GeSe (dpeaa)DE-He213 adsorption of gas molecules (dpeaa)DE-He213 electric field (dpeaa)DE-He213 first-principles calculations (dpeaa)DE-He213 Mu, Ruizhen aut Lin, Haifeng aut Xiong, Feibing aut Yang, Weihuang (orcid)0000-0002-0815-9038 aut Enthalten in Journal of electronic materials Warrendale, Pa : TMS, 1972 51(2022), 3 vom: 04. Jan., Seite 1232-1240 (DE-627)324918739 (DE-600)2032868-0 1543-186X nnns volume:51 year:2022 number:3 day:04 month:01 pages:1232-1240 https://dx.doi.org/10.1007/s11664-021-09355-z lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_SPRINGER GBV_ILN_11 GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_32 GBV_ILN_39 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_105 GBV_ILN_110 GBV_ILN_120 GBV_ILN_138 GBV_ILN_150 GBV_ILN_151 GBV_ILN_152 GBV_ILN_161 GBV_ILN_170 GBV_ILN_171 GBV_ILN_187 GBV_ILN_213 GBV_ILN_224 GBV_ILN_230 GBV_ILN_250 GBV_ILN_281 GBV_ILN_285 GBV_ILN_293 GBV_ILN_370 GBV_ILN_602 GBV_ILN_636 GBV_ILN_702 GBV_ILN_2001 GBV_ILN_2003 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2006 GBV_ILN_2007 GBV_ILN_2008 GBV_ILN_2009 GBV_ILN_2010 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2026 GBV_ILN_2027 GBV_ILN_2031 GBV_ILN_2034 GBV_ILN_2037 GBV_ILN_2038 GBV_ILN_2039 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2055 GBV_ILN_2056 GBV_ILN_2057 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2065 GBV_ILN_2068 GBV_ILN_2088 GBV_ILN_2093 GBV_ILN_2106 GBV_ILN_2107 GBV_ILN_2108 GBV_ILN_2110 GBV_ILN_2111 GBV_ILN_2112 GBV_ILN_2113 GBV_ILN_2118 GBV_ILN_2119 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2144 GBV_ILN_2147 GBV_ILN_2148 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2188 GBV_ILN_2190 GBV_ILN_2232 GBV_ILN_2336 GBV_ILN_2446 GBV_ILN_2470 GBV_ILN_2472 GBV_ILN_2507 GBV_ILN_2522 GBV_ILN_2548 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4046 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4242 GBV_ILN_4246 GBV_ILN_4249 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4326 GBV_ILN_4328 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4335 GBV_ILN_4336 GBV_ILN_4338 GBV_ILN_4393 GBV_ILN_4700 AR 51 2022 3 04 01 1232-1240
spelling	10.1007/s11664-021-09355-z doi (DE-627)SPR046156593 (SPR)s11664-021-09355-z-e DE-627 ger DE-627 rakwb eng Zhuang, Qinqin verfasserin aut Manipulating the Electronic Properties of Gas-Adsorbed Monolayer GeSe by External Electric Field 2022 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier © The Minerals, Metals & Materials Society 2022 The electronic and sensing properties of monolayer GeSe with the adsorption of various gas molecules ($ H_{2} $O, CO, $ NH_{3} $, NO, and $ NO_{2} $) under a vertical external electric field ranging from −0.8 V/Å to 0.8 V/Å were investigated by using first-principles calculations. The bandgaps of the pristine and gas-adsorbed systems all decreased in the presence of electric fields, especially a negative field. At the same time, the negative electric field caused two and one impurity states in the band gap of CO- and $ NO_{2} $ -adsorbed monolayer GeSe, respectively, which played an important role in manipulating the optoelectronic properties of the materials. By enhancing the adsorption ability and charge transfer, applying a relatively strong negative electric field can effectively improve the sensitivity of monolayer GeSe to $ NH_{3} $ molecules. Therefore, an external electric field is highly preferred and provides a practicable approach for controllable monolayer GeSe-based electronic devices and gas sensors. Graphical Abstract Monolayer GeSe (dpeaa)DE-He213 adsorption of gas molecules (dpeaa)DE-He213 electric field (dpeaa)DE-He213 first-principles calculations (dpeaa)DE-He213 Mu, Ruizhen aut Lin, Haifeng aut Xiong, Feibing aut Yang, Weihuang (orcid)0000-0002-0815-9038 aut Enthalten in Journal of electronic materials Warrendale, Pa : TMS, 1972 51(2022), 3 vom: 04. Jan., Seite 1232-1240 (DE-627)324918739 (DE-600)2032868-0 1543-186X nnns volume:51 year:2022 number:3 day:04 month:01 pages:1232-1240 https://dx.doi.org/10.1007/s11664-021-09355-z lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_SPRINGER GBV_ILN_11 GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_32 GBV_ILN_39 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_105 GBV_ILN_110 GBV_ILN_120 GBV_ILN_138 GBV_ILN_150 GBV_ILN_151 GBV_ILN_152 GBV_ILN_161 GBV_ILN_170 GBV_ILN_171 GBV_ILN_187 GBV_ILN_213 GBV_ILN_224 GBV_ILN_230 GBV_ILN_250 GBV_ILN_281 GBV_ILN_285 GBV_ILN_293 GBV_ILN_370 GBV_ILN_602 GBV_ILN_636 GBV_ILN_702 GBV_ILN_2001 GBV_ILN_2003 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2006 GBV_ILN_2007 GBV_ILN_2008 GBV_ILN_2009 GBV_ILN_2010 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2026 GBV_ILN_2027 GBV_ILN_2031 GBV_ILN_2034 GBV_ILN_2037 GBV_ILN_2038 GBV_ILN_2039 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2055 GBV_ILN_2056 GBV_ILN_2057 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2065 GBV_ILN_2068 GBV_ILN_2088 GBV_ILN_2093 GBV_ILN_2106 GBV_ILN_2107 GBV_ILN_2108 GBV_ILN_2110 GBV_ILN_2111 GBV_ILN_2112 GBV_ILN_2113 GBV_ILN_2118 GBV_ILN_2119 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2144 GBV_ILN_2147 GBV_ILN_2148 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2188 GBV_ILN_2190 GBV_ILN_2232 GBV_ILN_2336 GBV_ILN_2446 GBV_ILN_2470 GBV_ILN_2472 GBV_ILN_2507 GBV_ILN_2522 GBV_ILN_2548 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4046 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4242 GBV_ILN_4246 GBV_ILN_4249 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4326 GBV_ILN_4328 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4335 GBV_ILN_4336 GBV_ILN_4338 GBV_ILN_4393 GBV_ILN_4700 AR 51 2022 3 04 01 1232-1240
allfields_unstemmed	10.1007/s11664-021-09355-z doi (DE-627)SPR046156593 (SPR)s11664-021-09355-z-e DE-627 ger DE-627 rakwb eng Zhuang, Qinqin verfasserin aut Manipulating the Electronic Properties of Gas-Adsorbed Monolayer GeSe by External Electric Field 2022 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier © The Minerals, Metals & Materials Society 2022 The electronic and sensing properties of monolayer GeSe with the adsorption of various gas molecules ($ H_{2} $O, CO, $ NH_{3} $, NO, and $ NO_{2} $) under a vertical external electric field ranging from −0.8 V/Å to 0.8 V/Å were investigated by using first-principles calculations. The bandgaps of the pristine and gas-adsorbed systems all decreased in the presence of electric fields, especially a negative field. At the same time, the negative electric field caused two and one impurity states in the band gap of CO- and $ NO_{2} $ -adsorbed monolayer GeSe, respectively, which played an important role in manipulating the optoelectronic properties of the materials. By enhancing the adsorption ability and charge transfer, applying a relatively strong negative electric field can effectively improve the sensitivity of monolayer GeSe to $ NH_{3} $ molecules. Therefore, an external electric field is highly preferred and provides a practicable approach for controllable monolayer GeSe-based electronic devices and gas sensors. Graphical Abstract Monolayer GeSe (dpeaa)DE-He213 adsorption of gas molecules (dpeaa)DE-He213 electric field (dpeaa)DE-He213 first-principles calculations (dpeaa)DE-He213 Mu, Ruizhen aut Lin, Haifeng aut Xiong, Feibing aut Yang, Weihuang (orcid)0000-0002-0815-9038 aut Enthalten in Journal of electronic materials Warrendale, Pa : TMS, 1972 51(2022), 3 vom: 04. Jan., Seite 1232-1240 (DE-627)324918739 (DE-600)2032868-0 1543-186X nnns volume:51 year:2022 number:3 day:04 month:01 pages:1232-1240 https://dx.doi.org/10.1007/s11664-021-09355-z lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_SPRINGER GBV_ILN_11 GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_32 GBV_ILN_39 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_105 GBV_ILN_110 GBV_ILN_120 GBV_ILN_138 GBV_ILN_150 GBV_ILN_151 GBV_ILN_152 GBV_ILN_161 GBV_ILN_170 GBV_ILN_171 GBV_ILN_187 GBV_ILN_213 GBV_ILN_224 GBV_ILN_230 GBV_ILN_250 GBV_ILN_281 GBV_ILN_285 GBV_ILN_293 GBV_ILN_370 GBV_ILN_602 GBV_ILN_636 GBV_ILN_702 GBV_ILN_2001 GBV_ILN_2003 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2006 GBV_ILN_2007 GBV_ILN_2008 GBV_ILN_2009 GBV_ILN_2010 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2026 GBV_ILN_2027 GBV_ILN_2031 GBV_ILN_2034 GBV_ILN_2037 GBV_ILN_2038 GBV_ILN_2039 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2055 GBV_ILN_2056 GBV_ILN_2057 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2065 GBV_ILN_2068 GBV_ILN_2088 GBV_ILN_2093 GBV_ILN_2106 GBV_ILN_2107 GBV_ILN_2108 GBV_ILN_2110 GBV_ILN_2111 GBV_ILN_2112 GBV_ILN_2113 GBV_ILN_2118 GBV_ILN_2119 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2144 GBV_ILN_2147 GBV_ILN_2148 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2188 GBV_ILN_2190 GBV_ILN_2232 GBV_ILN_2336 GBV_ILN_2446 GBV_ILN_2470 GBV_ILN_2472 GBV_ILN_2507 GBV_ILN_2522 GBV_ILN_2548 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4046 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4242 GBV_ILN_4246 GBV_ILN_4249 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4326 GBV_ILN_4328 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4335 GBV_ILN_4336 GBV_ILN_4338 GBV_ILN_4393 GBV_ILN_4700 AR 51 2022 3 04 01 1232-1240
allfieldsGer	10.1007/s11664-021-09355-z doi (DE-627)SPR046156593 (SPR)s11664-021-09355-z-e DE-627 ger DE-627 rakwb eng Zhuang, Qinqin verfasserin aut Manipulating the Electronic Properties of Gas-Adsorbed Monolayer GeSe by External Electric Field 2022 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier © The Minerals, Metals & Materials Society 2022 The electronic and sensing properties of monolayer GeSe with the adsorption of various gas molecules ($ H_{2} $O, CO, $ NH_{3} $, NO, and $ NO_{2} $) under a vertical external electric field ranging from −0.8 V/Å to 0.8 V/Å were investigated by using first-principles calculations. The bandgaps of the pristine and gas-adsorbed systems all decreased in the presence of electric fields, especially a negative field. At the same time, the negative electric field caused two and one impurity states in the band gap of CO- and $ NO_{2} $ -adsorbed monolayer GeSe, respectively, which played an important role in manipulating the optoelectronic properties of the materials. By enhancing the adsorption ability and charge transfer, applying a relatively strong negative electric field can effectively improve the sensitivity of monolayer GeSe to $ NH_{3} $ molecules. Therefore, an external electric field is highly preferred and provides a practicable approach for controllable monolayer GeSe-based electronic devices and gas sensors. Graphical Abstract Monolayer GeSe (dpeaa)DE-He213 adsorption of gas molecules (dpeaa)DE-He213 electric field (dpeaa)DE-He213 first-principles calculations (dpeaa)DE-He213 Mu, Ruizhen aut Lin, Haifeng aut Xiong, Feibing aut Yang, Weihuang (orcid)0000-0002-0815-9038 aut Enthalten in Journal of electronic materials Warrendale, Pa : TMS, 1972 51(2022), 3 vom: 04. Jan., Seite 1232-1240 (DE-627)324918739 (DE-600)2032868-0 1543-186X nnns volume:51 year:2022 number:3 day:04 month:01 pages:1232-1240 https://dx.doi.org/10.1007/s11664-021-09355-z lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_SPRINGER GBV_ILN_11 GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_32 GBV_ILN_39 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_105 GBV_ILN_110 GBV_ILN_120 GBV_ILN_138 GBV_ILN_150 GBV_ILN_151 GBV_ILN_152 GBV_ILN_161 GBV_ILN_170 GBV_ILN_171 GBV_ILN_187 GBV_ILN_213 GBV_ILN_224 GBV_ILN_230 GBV_ILN_250 GBV_ILN_281 GBV_ILN_285 GBV_ILN_293 GBV_ILN_370 GBV_ILN_602 GBV_ILN_636 GBV_ILN_702 GBV_ILN_2001 GBV_ILN_2003 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2006 GBV_ILN_2007 GBV_ILN_2008 GBV_ILN_2009 GBV_ILN_2010 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2026 GBV_ILN_2027 GBV_ILN_2031 GBV_ILN_2034 GBV_ILN_2037 GBV_ILN_2038 GBV_ILN_2039 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2055 GBV_ILN_2056 GBV_ILN_2057 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2065 GBV_ILN_2068 GBV_ILN_2088 GBV_ILN_2093 GBV_ILN_2106 GBV_ILN_2107 GBV_ILN_2108 GBV_ILN_2110 GBV_ILN_2111 GBV_ILN_2112 GBV_ILN_2113 GBV_ILN_2118 GBV_ILN_2119 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2144 GBV_ILN_2147 GBV_ILN_2148 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2188 GBV_ILN_2190 GBV_ILN_2232 GBV_ILN_2336 GBV_ILN_2446 GBV_ILN_2470 GBV_ILN_2472 GBV_ILN_2507 GBV_ILN_2522 GBV_ILN_2548 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4046 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4242 GBV_ILN_4246 GBV_ILN_4249 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4326 GBV_ILN_4328 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4335 GBV_ILN_4336 GBV_ILN_4338 GBV_ILN_4393 GBV_ILN_4700 AR 51 2022 3 04 01 1232-1240
allfieldsSound	10.1007/s11664-021-09355-z doi (DE-627)SPR046156593 (SPR)s11664-021-09355-z-e DE-627 ger DE-627 rakwb eng Zhuang, Qinqin verfasserin aut Manipulating the Electronic Properties of Gas-Adsorbed Monolayer GeSe by External Electric Field 2022 Text txt rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier © The Minerals, Metals & Materials Society 2022 The electronic and sensing properties of monolayer GeSe with the adsorption of various gas molecules ($ H_{2} $O, CO, $ NH_{3} $, NO, and $ NO_{2} $) under a vertical external electric field ranging from −0.8 V/Å to 0.8 V/Å were investigated by using first-principles calculations. The bandgaps of the pristine and gas-adsorbed systems all decreased in the presence of electric fields, especially a negative field. At the same time, the negative electric field caused two and one impurity states in the band gap of CO- and $ NO_{2} $ -adsorbed monolayer GeSe, respectively, which played an important role in manipulating the optoelectronic properties of the materials. By enhancing the adsorption ability and charge transfer, applying a relatively strong negative electric field can effectively improve the sensitivity of monolayer GeSe to $ NH_{3} $ molecules. Therefore, an external electric field is highly preferred and provides a practicable approach for controllable monolayer GeSe-based electronic devices and gas sensors. Graphical Abstract Monolayer GeSe (dpeaa)DE-He213 adsorption of gas molecules (dpeaa)DE-He213 electric field (dpeaa)DE-He213 first-principles calculations (dpeaa)DE-He213 Mu, Ruizhen aut Lin, Haifeng aut Xiong, Feibing aut Yang, Weihuang (orcid)0000-0002-0815-9038 aut Enthalten in Journal of electronic materials Warrendale, Pa : TMS, 1972 51(2022), 3 vom: 04. Jan., Seite 1232-1240 (DE-627)324918739 (DE-600)2032868-0 1543-186X nnns volume:51 year:2022 number:3 day:04 month:01 pages:1232-1240 https://dx.doi.org/10.1007/s11664-021-09355-z lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_SPRINGER GBV_ILN_11 GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_32 GBV_ILN_39 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_105 GBV_ILN_110 GBV_ILN_120 GBV_ILN_138 GBV_ILN_150 GBV_ILN_151 GBV_ILN_152 GBV_ILN_161 GBV_ILN_170 GBV_ILN_171 GBV_ILN_187 GBV_ILN_213 GBV_ILN_224 GBV_ILN_230 GBV_ILN_250 GBV_ILN_281 GBV_ILN_285 GBV_ILN_293 GBV_ILN_370 GBV_ILN_602 GBV_ILN_636 GBV_ILN_702 GBV_ILN_2001 GBV_ILN_2003 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2006 GBV_ILN_2007 GBV_ILN_2008 GBV_ILN_2009 GBV_ILN_2010 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2026 GBV_ILN_2027 GBV_ILN_2031 GBV_ILN_2034 GBV_ILN_2037 GBV_ILN_2038 GBV_ILN_2039 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2055 GBV_ILN_2056 GBV_ILN_2057 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2065 GBV_ILN_2068 GBV_ILN_2088 GBV_ILN_2093 GBV_ILN_2106 GBV_ILN_2107 GBV_ILN_2108 GBV_ILN_2110 GBV_ILN_2111 GBV_ILN_2112 GBV_ILN_2113 GBV_ILN_2118 GBV_ILN_2119 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2144 GBV_ILN_2147 GBV_ILN_2148 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2188 GBV_ILN_2190 GBV_ILN_2232 GBV_ILN_2336 GBV_ILN_2446 GBV_ILN_2470 GBV_ILN_2472 GBV_ILN_2507 GBV_ILN_2522 GBV_ILN_2548 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4046 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4242 GBV_ILN_4246 GBV_ILN_4249 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4306 GBV_ILN_4307 GBV_ILN_4313 GBV_ILN_4322 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4326 GBV_ILN_4328 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4335 GBV_ILN_4336 GBV_ILN_4338 GBV_ILN_4393 GBV_ILN_4700 AR 51 2022 3 04 01 1232-1240
language	English
source	Enthalten in Journal of electronic materials 51(2022), 3 vom: 04. Jan., Seite 1232-1240 volume:51 year:2022 number:3 day:04 month:01 pages:1232-1240
sourceStr	Enthalten in Journal of electronic materials 51(2022), 3 vom: 04. Jan., Seite 1232-1240 volume:51 year:2022 number:3 day:04 month:01 pages:1232-1240
format_phy_str_mv	Article
institution	findex.gbv.de
topic_facet	Monolayer GeSe adsorption of gas molecules electric field first-principles calculations
isfreeaccess_bool	false
container_title	Journal of electronic materials
authorswithroles_txt_mv	Zhuang, Qinqin @@aut@@ Mu, Ruizhen @@aut@@ Lin, Haifeng @@aut@@ Xiong, Feibing @@aut@@ Yang, Weihuang @@aut@@
publishDateDaySort_date	2022-01-04T00:00:00Z
hierarchy_top_id	324918739
id	SPR046156593
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">SPR046156593</controlfield><controlfield tag="003">DE-627</controlfield><controlfield tag="005">20230507100836.0</controlfield><controlfield tag="007">cr uuu---uuuuu</controlfield><controlfield tag="008">220205s2022 xx \|\|\|\|\|o 00\| \|\|eng c</controlfield><datafield tag="024" ind1="7" ind2=" "><subfield code="a">10.1007/s11664-021-09355-z</subfield><subfield code="2">doi</subfield></datafield><datafield tag="035" ind1=" " ind2=" "><subfield code="a">(DE-627)SPR046156593</subfield></datafield><datafield tag="035" ind1=" " ind2=" "><subfield code="a">(SPR)s11664-021-09355-z-e</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="100" ind1="1" ind2=" "><subfield code="a">Zhuang, Qinqin</subfield><subfield code="e">verfasserin</subfield><subfield code="4">aut</subfield></datafield><datafield tag="245" ind1="1" ind2="0"><subfield code="a">Manipulating the Electronic Properties of Gas-Adsorbed Monolayer GeSe by External Electric Field</subfield></datafield><datafield tag="264" ind1=" " ind2="1"><subfield code="c">2022</subfield></datafield><datafield tag="336" ind1=" " ind2=" "><subfield code="a">Text</subfield><subfield code="b">txt</subfield><subfield code="2">rdacontent</subfield></datafield><datafield tag="337" ind1=" " ind2=" "><subfield code="a">Computermedien</subfield><subfield code="b">c</subfield><subfield code="2">rdamedia</subfield></datafield><datafield tag="338" ind1=" " ind2=" "><subfield code="a">Online-Ressource</subfield><subfield code="b">cr</subfield><subfield code="2">rdacarrier</subfield></datafield><datafield tag="500" ind1=" " ind2=" "><subfield code="a">© The Minerals, Metals & Materials Society 2022</subfield></datafield><datafield tag="520" ind1=" " ind2=" "><subfield code="a">The electronic and sensing properties of monolayer GeSe with the adsorption of various gas molecules ($ H_{2} $O, CO, $ NH_{3} $, NO, and $ NO_{2} $) under a vertical external electric field ranging from −0.8 V/Å to 0.8 V/Å were investigated by using first-principles calculations. The bandgaps of the pristine and gas-adsorbed systems all decreased in the presence of electric fields, especially a negative field. At the same time, the negative electric field caused two and one impurity states in the band gap of CO- and $ NO_{2} $ -adsorbed monolayer GeSe, respectively, which played an important role in manipulating the optoelectronic properties of the materials. By enhancing the adsorption ability and charge transfer, applying a relatively strong negative electric field can effectively improve the sensitivity of monolayer GeSe to $ NH_{3} $ molecules. Therefore, an external electric field is highly preferred and provides a practicable approach for controllable monolayer GeSe-based electronic devices and gas sensors. 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author	Zhuang, Qinqin
spellingShingle	Zhuang, Qinqin misc Monolayer GeSe misc adsorption of gas molecules misc electric field misc first-principles calculations Manipulating the Electronic Properties of Gas-Adsorbed Monolayer GeSe by External Electric Field
authorStr	Zhuang, Qinqin
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topic_title	Manipulating the Electronic Properties of Gas-Adsorbed Monolayer GeSe by External Electric Field Monolayer GeSe (dpeaa)DE-He213 adsorption of gas molecules (dpeaa)DE-He213 electric field (dpeaa)DE-He213 first-principles calculations (dpeaa)DE-He213
topic	misc Monolayer GeSe misc adsorption of gas molecules misc electric field misc first-principles calculations
topic_unstemmed	misc Monolayer GeSe misc adsorption of gas molecules misc electric field misc first-principles calculations
topic_browse	misc Monolayer GeSe misc adsorption of gas molecules misc electric field misc first-principles calculations
format_facet	Elektronische Aufsätze Aufsätze Elektronische Ressource
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title	Manipulating the Electronic Properties of Gas-Adsorbed Monolayer GeSe by External Electric Field
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title_full	Manipulating the Electronic Properties of Gas-Adsorbed Monolayer GeSe by External Electric Field
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journal	Journal of electronic materials
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author_browse	Zhuang, Qinqin Mu, Ruizhen Lin, Haifeng Xiong, Feibing Yang, Weihuang
container_volume	51
format_se	Elektronische Aufsätze
author-letter	Zhuang, Qinqin
doi_str_mv	10.1007/s11664-021-09355-z
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title_sort	manipulating the electronic properties of gas-adsorbed monolayer gese by external electric field
title_auth	Manipulating the Electronic Properties of Gas-Adsorbed Monolayer GeSe by External Electric Field
abstract	The electronic and sensing properties of monolayer GeSe with the adsorption of various gas molecules ($ H_{2} $O, CO, $ NH_{3} $, NO, and $ NO_{2} $) under a vertical external electric field ranging from −0.8 V/Å to 0.8 V/Å were investigated by using first-principles calculations. The bandgaps of the pristine and gas-adsorbed systems all decreased in the presence of electric fields, especially a negative field. At the same time, the negative electric field caused two and one impurity states in the band gap of CO- and $ NO_{2} $ -adsorbed monolayer GeSe, respectively, which played an important role in manipulating the optoelectronic properties of the materials. By enhancing the adsorption ability and charge transfer, applying a relatively strong negative electric field can effectively improve the sensitivity of monolayer GeSe to $ NH_{3} $ molecules. Therefore, an external electric field is highly preferred and provides a practicable approach for controllable monolayer GeSe-based electronic devices and gas sensors. Graphical Abstract © The Minerals, Metals & Materials Society 2022
abstractGer	The electronic and sensing properties of monolayer GeSe with the adsorption of various gas molecules ($ H_{2} $O, CO, $ NH_{3} $, NO, and $ NO_{2} $) under a vertical external electric field ranging from −0.8 V/Å to 0.8 V/Å were investigated by using first-principles calculations. The bandgaps of the pristine and gas-adsorbed systems all decreased in the presence of electric fields, especially a negative field. At the same time, the negative electric field caused two and one impurity states in the band gap of CO- and $ NO_{2} $ -adsorbed monolayer GeSe, respectively, which played an important role in manipulating the optoelectronic properties of the materials. By enhancing the adsorption ability and charge transfer, applying a relatively strong negative electric field can effectively improve the sensitivity of monolayer GeSe to $ NH_{3} $ molecules. Therefore, an external electric field is highly preferred and provides a practicable approach for controllable monolayer GeSe-based electronic devices and gas sensors. Graphical Abstract © The Minerals, Metals & Materials Society 2022
abstract_unstemmed	The electronic and sensing properties of monolayer GeSe with the adsorption of various gas molecules ($ H_{2} $O, CO, $ NH_{3} $, NO, and $ NO_{2} $) under a vertical external electric field ranging from −0.8 V/Å to 0.8 V/Å were investigated by using first-principles calculations. The bandgaps of the pristine and gas-adsorbed systems all decreased in the presence of electric fields, especially a negative field. At the same time, the negative electric field caused two and one impurity states in the band gap of CO- and $ NO_{2} $ -adsorbed monolayer GeSe, respectively, which played an important role in manipulating the optoelectronic properties of the materials. By enhancing the adsorption ability and charge transfer, applying a relatively strong negative electric field can effectively improve the sensitivity of monolayer GeSe to $ NH_{3} $ molecules. Therefore, an external electric field is highly preferred and provides a practicable approach for controllable monolayer GeSe-based electronic devices and gas sensors. Graphical Abstract © The Minerals, Metals & Materials Society 2022
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container_issue	3
title_short	Manipulating the Electronic Properties of Gas-Adsorbed Monolayer GeSe by External Electric Field
url	https://dx.doi.org/10.1007/s11664-021-09355-z
remote_bool	true
author2	Mu, Ruizhen Lin, Haifeng Xiong, Feibing Yang, Weihuang
author2Str	Mu, Ruizhen Lin, Haifeng Xiong, Feibing Yang, Weihuang
ppnlink	324918739
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doi_str	10.1007/s11664-021-09355-z
up_date	2024-07-03T20:43:58.813Z
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Manipulating the Electronic Properties of Gas-Adsorbed Monolayer GeSe by External Electric Field

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