Structural, mechanical and electronic properties of in-plane 1T/2H phase interface of MoS2 heterostructures

Structural, mechanical and electronic properties of in-plane 1T/2H phase interface of MoS2 heterostructures

Two-dimensional (2D) molybdenum disulfide (MoS2) phase hybrid system composed by 2H and 1T phase is a natural metal/semiconductor heterostructures and promised a wide range of potential applications. Here, we report the first principle investigations on the structural, mechanical and electronic prop...

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Main Authors: Xiaoyan Guo, Guohui Yang, Junfeng Zhang, Xiaohong Xu
Format: Article
Language:English
Published: AIP Publishing LLC 2015-09-01
Series:AIP Advances
Online Access:http://dx.doi.org/10.1063/1.4932040
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recordtype oai_dc
spelling doaj-art-7518ac1604174b7a9c4aa50538b649af2018-09-02T04:23:25ZengAIP Publishing LLCAIP Advances2158-32262015-09-0159097174097174-1010.1063/1.4932040087509ADVStructural, mechanical and electronic properties of in-plane 1T/2H phase interface of MoS2 heterostructuresXiaoyan Guo0Guohui Yang1Junfeng Zhang2Xiaohong Xu3School of Physics and Information Engineering, Shanxi Normal University, Linfen, 041004, ChinaSchool of Physics and Information Engineering, Shanxi Normal University, Linfen, 041004, ChinaSchool of Physics and Information Engineering, Shanxi Normal University, Linfen, 041004, ChinaKey Laboratory of Magnetic Molecules and Magnetic Information Materials of Ministry of Education, Shanxi Normal University, Linfen, 041004, ChinaTwo-dimensional (2D) molybdenum disulfide (MoS2) phase hybrid system composed by 2H and 1T phase is a natural metal/semiconductor heterostructures and promised a wide range of potential applications. Here, we report the first principle investigations on the structural, mechanical and electronic properties of hybrid system with armchair (AC) and zigzag (ZZ) interfaces. The ZZ type 1T/2H interface are more energy favorable than AC type interface with 3.39 eV/nm. Similar with that of bulked 1T MoS2, the intrinsic strengths of the heterostructures are lower than that of the bulk 2H, especially for that with ZZ interface. Analysis of density of states shows that the electronic properties gradually transmitted from the metallic 1T phase to the semiconducting 2H phase for the structural abrupt interface. The present theoretical results constitute a useful picture for the 2D electronic devices using current MoS2 1T/2H heterostructures and provide vital insights into the other 2D hybrid materials.http://dx.doi.org/10.1063/1.4932040
institution Open Data Bank
collection Open Access Journals
building Directory of Open Access Journals
language English
format Article
author Xiaoyan Guo
Guohui Yang
Junfeng Zhang
Xiaohong Xu
spellingShingle Xiaoyan Guo
Guohui Yang
Junfeng Zhang
Xiaohong Xu
Structural, mechanical and electronic properties of in-plane 1T/2H phase interface of MoS2 heterostructures
AIP Advances
author_facet Xiaoyan Guo
Guohui Yang
Junfeng Zhang
Xiaohong Xu
author_sort Xiaoyan Guo
title Structural, mechanical and electronic properties of in-plane 1T/2H phase interface of MoS2 heterostructures
title_short Structural, mechanical and electronic properties of in-plane 1T/2H phase interface of MoS2 heterostructures
title_full Structural, mechanical and electronic properties of in-plane 1T/2H phase interface of MoS2 heterostructures
title_fullStr Structural, mechanical and electronic properties of in-plane 1T/2H phase interface of MoS2 heterostructures
title_full_unstemmed Structural, mechanical and electronic properties of in-plane 1T/2H phase interface of MoS2 heterostructures
title_sort structural, mechanical and electronic properties of in-plane 1t/2h phase interface of mos2 heterostructures
publisher AIP Publishing LLC
series AIP Advances
issn 2158-3226
publishDate 2015-09-01
description Two-dimensional (2D) molybdenum disulfide (MoS2) phase hybrid system composed by 2H and 1T phase is a natural metal/semiconductor heterostructures and promised a wide range of potential applications. Here, we report the first principle investigations on the structural, mechanical and electronic properties of hybrid system with armchair (AC) and zigzag (ZZ) interfaces. The ZZ type 1T/2H interface are more energy favorable than AC type interface with 3.39 eV/nm. Similar with that of bulked 1T MoS2, the intrinsic strengths of the heterostructures are lower than that of the bulk 2H, especially for that with ZZ interface. Analysis of density of states shows that the electronic properties gradually transmitted from the metallic 1T phase to the semiconducting 2H phase for the structural abrupt interface. The present theoretical results constitute a useful picture for the 2D electronic devices using current MoS2 1T/2H heterostructures and provide vital insights into the other 2D hybrid materials.
url http://dx.doi.org/10.1063/1.4932040
_version_ 1612657710873968640

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