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Charge transfer doping of graphene without degrading carrier mobility

Haichang Lu, Yuzheng Guo Orcid Logo, John Robertson

Journal of Applied Physics, Volume: 121, Issue: 22, Start page: 224304

Swansea University Author: Yuzheng Guo Orcid Logo

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DOI (Published version): 10.1063/1.4985121

Abstract

Density functional calculations are used to analyze the charge transfer doping mechanism by molecules absorbed onto graphene. Typical dopants studied are AuCl3, FeCl3, SbF5, HNO3, MoO3, Cs2O, O2, and OH. The Fermi level shifts are correlated with the electron affinity or ionization potential of the...

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Published in: Journal of Applied Physics
ISSN: 0021-8979 1089-7550
Published: 2017
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URI: https://cronfa.swan.ac.uk/Record/cronfa34541
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first_indexed 2017-07-04T15:07:53Z
last_indexed 2018-02-09T05:24:47Z
id cronfa34541
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spelling 2017-10-04T10:14:24.6136402 v2 34541 2017-07-04 Charge transfer doping of graphene without degrading carrier mobility 2c285ab01f88f7ecb25a3aacabee52ea 0000-0003-2656-0340 Yuzheng Guo Yuzheng Guo true false 2017-07-04 GENG Density functional calculations are used to analyze the charge transfer doping mechanism by molecules absorbed onto graphene. Typical dopants studied are AuCl3, FeCl3, SbF5, HNO3, MoO3, Cs2O, O2, and OH. The Fermi level shifts are correlated with the electron affinity or ionization potential of the dopants. We pay particular attention to whether the dopants form direct chemisorptive bonds which cause the underlying carbon atoms to pucker to form sp3 sites as these interrupt the π bonding of the basal plane, and cause carrier scattering and thus degrade the carrier mobility. Most species even those with high or low electronegativity do not cause puckering. In contrast, reactive radicals like -OH cause puckering of the basal plane, creating sp3 sites which degrade mobility. Journal Article Journal of Applied Physics 121 22 224304 0021-8979 1089-7550 Graphene, Doping, Band structure, Carrier mobility, Chemical bonds 31 12 2017 2017-12-31 10.1063/1.4985121 COLLEGE NANME General Engineering COLLEGE CODE GENG Swansea University 2017-10-04T10:14:24.6136402 2017-07-04T08:56:42.2040861 Faculty of Science and Engineering School of Aerospace, Civil, Electrical, General and Mechanical Engineering - General Engineering Haichang Lu 1 Yuzheng Guo 0000-0003-2656-0340 2 John Robertson 3
title Charge transfer doping of graphene without degrading carrier mobility
spellingShingle Charge transfer doping of graphene without degrading carrier mobility
Yuzheng Guo
title_short Charge transfer doping of graphene without degrading carrier mobility
title_full Charge transfer doping of graphene without degrading carrier mobility
title_fullStr Charge transfer doping of graphene without degrading carrier mobility
title_full_unstemmed Charge transfer doping of graphene without degrading carrier mobility
title_sort Charge transfer doping of graphene without degrading carrier mobility
author_id_str_mv 2c285ab01f88f7ecb25a3aacabee52ea
author_id_fullname_str_mv 2c285ab01f88f7ecb25a3aacabee52ea_***_Yuzheng Guo
author Yuzheng Guo
author2 Haichang Lu
Yuzheng Guo
John Robertson
format Journal article
container_title Journal of Applied Physics
container_volume 121
container_issue 22
container_start_page 224304
publishDate 2017
institution Swansea University
issn 0021-8979
1089-7550
doi_str_mv 10.1063/1.4985121
college_str Faculty of Science and Engineering
hierarchytype
hierarchy_top_id facultyofscienceandengineering
hierarchy_top_title Faculty of Science and Engineering
hierarchy_parent_id facultyofscienceandengineering
hierarchy_parent_title Faculty of Science and Engineering
department_str School of Aerospace, Civil, Electrical, General and Mechanical Engineering - General Engineering{{{_:::_}}}Faculty of Science and Engineering{{{_:::_}}}School of Aerospace, Civil, Electrical, General and Mechanical Engineering - General Engineering
document_store_str 0
active_str 0
description Density functional calculations are used to analyze the charge transfer doping mechanism by molecules absorbed onto graphene. Typical dopants studied are AuCl3, FeCl3, SbF5, HNO3, MoO3, Cs2O, O2, and OH. The Fermi level shifts are correlated with the electron affinity or ionization potential of the dopants. We pay particular attention to whether the dopants form direct chemisorptive bonds which cause the underlying carbon atoms to pucker to form sp3 sites as these interrupt the π bonding of the basal plane, and cause carrier scattering and thus degrade the carrier mobility. Most species even those with high or low electronegativity do not cause puckering. In contrast, reactive radicals like -OH cause puckering of the basal plane, creating sp3 sites which degrade mobility.
published_date 2017-12-31T03:42:52Z
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score 11.012678

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