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The study of interaction and charge transfer at black phosphorus-metal interfaces
Zhu, Sicong; Ni, Yun; Liu, Juan; Yao, Kailun; sicongzhu31@gmail.com
2015
Source PublicationJOURNAL OF PHYSICS D-APPLIED PHYSICS
ISSN0022-3727
Volume48Issue:44Pages:-
AbstractUsing density-functional theory, we analyze the potential barrier, charge transfer and atomic orbital overlap at the metal-black phosphorus interface in an optimized structure to understand how efficiently carriers could be injected from a metal contact to the black phosphorus. We investigate a monolayer black phosphorus directly in contact with five representative metal substrates Ag(1 1 1), Au(1 1 1), Al(1 1 1), Cu(1 1 1) or Zn(0 0 0 1), having varying work functions but each with minimal lattice mismatch with the black phosphorus overlayer. We find that the contact nature is ohmic versus Schottky. For different kinds of contact, Cu and Al show better conductivity than the other metals. The dependence of the barrier height exhibits partial Fermi-level pinning character. These findings may prove to be instrumental in the future design of BP-based electronics, as well as in exploring novel catalysts for hydrogen production and related chemical processes.
description.department[zhu, sicong ; liu, juan ; yao, kailun] huazhong univ sci & technol, wuhan natl high magnet field ctr, wuhan 430074, peoples r china ; [zhu, sicong ; liu, juan ; yao, kailun] huazhong univ sci & technol, sch phys, wuhan 430074, peoples r china ; [ni, yun] wenhua coll, wuhan 430074, peoples r china ; [yao, kailun] chinese acad sci, int ctr mat phys, shenyang 110015, peoples r china
KeywordTwo Dimensional (2d) Black Phosphorus (Bp) Schottky Barrier Height (Sbh)
Funding OrganizationChina Postdoctoral Science Foundation [2014M562009]; National Natural Science Foundation of China [11404121, 11404119]
Indexed Bysci
Language英语
Document Type期刊论文
Identifierhttp://ir.imr.ac.cn/handle/321006/75209
Collection中国科学院金属研究所
Corresponding Authorsicongzhu31@gmail.com
Recommended Citation
GB/T 7714
Zhu, Sicong,Ni, Yun,Liu, Juan,et al. The study of interaction and charge transfer at black phosphorus-metal interfaces[J]. JOURNAL OF PHYSICS D-APPLIED PHYSICS,2015,48(44):-.
APA Zhu, Sicong,Ni, Yun,Liu, Juan,Yao, Kailun,&sicongzhu31@gmail.com.(2015).The study of interaction and charge transfer at black phosphorus-metal interfaces.JOURNAL OF PHYSICS D-APPLIED PHYSICS,48(44),-.
MLA Zhu, Sicong,et al."The study of interaction and charge transfer at black phosphorus-metal interfaces".JOURNAL OF PHYSICS D-APPLIED PHYSICS 48.44(2015):-.
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