Graphene;
Amino acid;
Density functional theory;
Solar absorber;
Electronic band structure;
TOTAL-ENERGY CALCULATIONS;
AB-INITIO;
ADSORPTION;
MOLECULES;
POINTS;
CELLS;
D O I:
10.1016/j.carbon.2018.11.018
中图分类号:
O64 [物理化学(理论化学)、化学物理学];
学科分类号:
070304 ;
081704 ;
摘要:
Despite its high solar absorbance and surface coating abilities, pristine graphene as a semimetal is not promising for photovoltaic applications. In this study, we predict that Glycine (Gly), an amino acid, which is normally bound to pristine graphene by a weak van der Waals attraction, can form an organic coating durable to ambient condition when adsorbed on vacancy patterned graphene surface. Moreover, adsorbed Gly coating induces metal-insulator transition and concomitantly increases the solar absorbance of pristine graphene more than three times. This way, graphene attain critical functionalities to be used in solar energy and photovoltaic applications. (C) 2018 Elsevier Ltd. All rights reserved.
机构:
Chinese Acad Sci, Lanzhou Inst Chem Phys, State Key Lab Solid Lubricat, Lanzhou 730000, Peoples R China
Chinese Acad Sci, Grad Univ, Beijing 100080, Peoples R ChinaChinese Acad Sci, Lanzhou Inst Chem Phys, State Key Lab Solid Lubricat, Lanzhou 730000, Peoples R China
Liu, Wenwen
Yan, Xingbin
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h-index: 0
机构:
Chinese Acad Sci, Lanzhou Inst Chem Phys, State Key Lab Solid Lubricat, Lanzhou 730000, Peoples R ChinaChinese Acad Sci, Lanzhou Inst Chem Phys, State Key Lab Solid Lubricat, Lanzhou 730000, Peoples R China
Yan, Xingbin
Lang, Junwei
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机构:
Chinese Acad Sci, Lanzhou Inst Chem Phys, State Key Lab Solid Lubricat, Lanzhou 730000, Peoples R ChinaChinese Acad Sci, Lanzhou Inst Chem Phys, State Key Lab Solid Lubricat, Lanzhou 730000, Peoples R China
Lang, Junwei
Chen, Jiangtao
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h-index: 0
机构:
Chinese Acad Sci, Lanzhou Inst Chem Phys, State Key Lab Solid Lubricat, Lanzhou 730000, Peoples R ChinaChinese Acad Sci, Lanzhou Inst Chem Phys, State Key Lab Solid Lubricat, Lanzhou 730000, Peoples R China
Chen, Jiangtao
Xue, Qunji
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h-index: 0
机构:
Chinese Acad Sci, Lanzhou Inst Chem Phys, State Key Lab Solid Lubricat, Lanzhou 730000, Peoples R ChinaChinese Acad Sci, Lanzhou Inst Chem Phys, State Key Lab Solid Lubricat, Lanzhou 730000, Peoples R China
机构:
Univ Paris Saclay, CEA CNRS UMR 3680, CEA Saclay, SPEC, F-9119I Gif Sur Yvette, FranceUniv Paris Saclay, CEA CNRS UMR 3680, CEA Saclay, SPEC, F-9119I Gif Sur Yvette, France
Le Liepvre, Sylvain
Du, Ping
论文数: 0引用数: 0
h-index: 0
机构:
Univ Paris 06, Inst Parisien Chim Mol, Lab Chim Polymeres, UMR 8232, 4 Pl Jussieu, F-75252 Paris 05, FranceUniv Paris Saclay, CEA CNRS UMR 3680, CEA Saclay, SPEC, F-9119I Gif Sur Yvette, France
Du, Ping
Kreher, David
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h-index: 0
机构:
Univ Paris 06, Inst Parisien Chim Mol, Lab Chim Polymeres, UMR 8232, 4 Pl Jussieu, F-75252 Paris 05, FranceUniv Paris Saclay, CEA CNRS UMR 3680, CEA Saclay, SPEC, F-9119I Gif Sur Yvette, France
Kreher, David
Mathevet, Fabrice
论文数: 0引用数: 0
h-index: 0
机构:
Univ Paris 06, Inst Parisien Chim Mol, Lab Chim Polymeres, UMR 8232, 4 Pl Jussieu, F-75252 Paris 05, FranceUniv Paris Saclay, CEA CNRS UMR 3680, CEA Saclay, SPEC, F-9119I Gif Sur Yvette, France
Mathevet, Fabrice
Attias, Andre-Jean
论文数: 0引用数: 0
h-index: 0
机构:
Univ Paris 06, Inst Parisien Chim Mol, Lab Chim Polymeres, UMR 8232, 4 Pl Jussieu, F-75252 Paris 05, FranceUniv Paris Saclay, CEA CNRS UMR 3680, CEA Saclay, SPEC, F-9119I Gif Sur Yvette, France
Attias, Andre-Jean
Fiorini-Debuisschert, Celine
论文数: 0引用数: 0
h-index: 0
机构:
Univ Paris Saclay, CEA CNRS UMR 3680, CEA Saclay, SPEC, F-9119I Gif Sur Yvette, FranceUniv Paris Saclay, CEA CNRS UMR 3680, CEA Saclay, SPEC, F-9119I Gif Sur Yvette, France
Fiorini-Debuisschert, Celine
Douillard, Ludovic
论文数: 0引用数: 0
h-index: 0
机构:
Univ Paris Saclay, CEA CNRS UMR 3680, CEA Saclay, SPEC, F-9119I Gif Sur Yvette, FranceUniv Paris Saclay, CEA CNRS UMR 3680, CEA Saclay, SPEC, F-9119I Gif Sur Yvette, France
Douillard, Ludovic
Charra, Fabrice
论文数: 0引用数: 0
h-index: 0
机构:
Univ Paris Saclay, CEA CNRS UMR 3680, CEA Saclay, SPEC, F-9119I Gif Sur Yvette, FranceUniv Paris Saclay, CEA CNRS UMR 3680, CEA Saclay, SPEC, F-9119I Gif Sur Yvette, France
机构:
Virginia Tech, Dept Phys, Blacksburg, VA 24061 USAVirginia Tech, Dept Phys, Blacksburg, VA 24061 USA
Li, Yanlong
Chen, Chuanhui
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h-index: 0
机构:
Virginia Tech, Dept Phys, Blacksburg, VA 24061 USA
Virginia Tech, Ctr Soft Matter & Biol Phys, Blacksburg, VA 24061 USAVirginia Tech, Dept Phys, Blacksburg, VA 24061 USA
Chen, Chuanhui
Burton, John
论文数: 0引用数: 0
h-index: 0
机构:
Virginia Tech, Dept Phys, Blacksburg, VA 24061 USAVirginia Tech, Dept Phys, Blacksburg, VA 24061 USA
Burton, John
Park, Kyungwha
论文数: 0引用数: 0
h-index: 0
机构:
Virginia Tech, Dept Phys, Blacksburg, VA 24061 USAVirginia Tech, Dept Phys, Blacksburg, VA 24061 USA
Park, Kyungwha
Heflin, James R.
论文数: 0引用数: 0
h-index: 0
机构:
Virginia Tech, Dept Phys, Blacksburg, VA 24061 USAVirginia Tech, Dept Phys, Blacksburg, VA 24061 USA
Heflin, James R.
Tao, Chenggang
论文数: 0引用数: 0
h-index: 0
机构:
Virginia Tech, Dept Phys, Blacksburg, VA 24061 USA
Virginia Tech, Ctr Soft Matter & Biol Phys, Blacksburg, VA 24061 USAVirginia Tech, Dept Phys, Blacksburg, VA 24061 USA