Strain and Defects Engineering of Phosphorene

被引：0

作者：

Kistanov, Andrey A. ^{[1
,2
]}

Cai, Yongqing ^{[2
]}

Zhou, Kun ^{[1
]}

Dmitriev, Sergey V. ^{[3
,4
]}

Srikanth, Narasimalu ^{[5
]}

Saadatmand, Danial ^{[6
]}

Zhang, Yong-Wei ^{[2
]}

机构：

[1] Nanyang Technol Univ, Sch Mech & Aerosp Engn, Singapore, Singapore

[2] Inst High Performance Comp, Agcy Sci Technol & Res, Singapore, Singapore

[3] Russian Acad Sci, Inst Met Superplast Problems, Ufa, Russia

[4] Natl Res Tomsk State Univ, Tomsk, Russia

[5] Energy Res Inst NTU ERI N, Singapore, Singapore

[6] Univ Sistan & Baluchestan, Dept Phys, Zahedan, Iran

来源：

2017 ASIAN CONFERENCE ON ENERGY, POWER AND TRANSPORTATION ELECTRIFICATION (ACEPT) | 2017年

基金：

俄罗斯科学基金会;

关键词：

phosphorene; strain engineering; defects; water and oxygen; ADSORPTION; SENSOR;

D O I：

暂无

中图分类号：

TE [石油、天然气工业]; TK [能源与动力工程];

学科分类号：

0807 ; 0820 ;

摘要：

By using first-principles calculations, the electronic properties and chemical activity of phosphorene under the strain and defect engineering are studied. Furthermore, the effects of engineering on the interactions of NO gas molecule and humidity (H2O) and air (O-2) molecules with the phosphorene surface are investigated. It is found that phosphorene enables to withstand a large compressive strain, up to -35%, and exhibit anisotropic electronic properties. Moreover, compressive strain and the presence of mono-and di-vacancy defects significantly alter the chemical activity of phosphorene as indicated by the enhanced adsorption and charge transfer between considered molecules and phosphorene surface. Thus, our findings suggest phosphorene as a perspective material for optical and photovoltaic applications.

引用

页数：5

共 21 条

[1] Tuning the electronic properties of corrugated graphene: Confinement, curvature, and band-gap opening [J].

Atanasov, Victor ;

Saxena, Avadh .

PHYSICAL REVIEW B, 2010, 81 (20)

[2]

Bader R. F. W., 1994, ATOMS MOL QUANTUM TH

[3] Sudden stoppage of rotor in a thermally driven rotary motor made from double-walled carbon nanotubes [J].

Cai, K. ;

Yu, J. Z. ;

Yin, H. ;

Qin, Q. H. .

NANOTECHNOLOGY, 2015, 26 (09)

[4] Highly Itinerant Atomic Vacancies in Phosphorene [J].

Cai, Yongqing ;

Ke, Qingqing ;

Zhang, Gang ;

Yakobson, Boris I. ;

Zhang, Yong-Wei .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2016, 138 (32) :10199-10206

[5] Giant Phononic Anisotropy and Unusual Anharmonicity of Phosphorene: Interlayer Coupling and Strain Engineering [J].

Cai, Yongqing ;

Ke, Qingqing ;

Zhang, Gang ;

Feng, Yuan Ping ;

Shenoy, Vivek B. ;

Zhang, Yong-Wei .

ADVANCED FUNCTIONAL MATERIALS, 2015, 25 (15) :2230-2236

[6] Energetics, Charge Transfer, and Magnetism of Small Molecules Physisorbed on Phosphorene [J].

Cai, Yongqing ;

Ke, Qingqing ;

Zhang, Gang ;

Zhang, Yong-Wei .

JOURNAL OF PHYSICAL CHEMISTRY C, 2015, 119 (06) :3102-3110

[7] Silicene as a highly sensitive molecule sensor for NH3, NO and NO2 [J].

Hu, Wei ;

Xi, Nan ;

Wu, Xiaojun ;

Li, Zhenyu ;

Yang, Jinlong .

PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2014, 16 (15) :6957-6962

[8] Mechanical properties of single-layer black phosphorus [J].

Jiang, Jin-Wu ;

Park, Harold S. .

JOURNAL OF PHYSICS D-APPLIED PHYSICS, 2014, 47 (38)

[9] Anisotropic Ripple Deformation in Phosphorene [J].

Kou, Liangzhi ;

Ma, Yandong ;

Smith, Sean C. ;

Chen, Changfeng .

JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2015, 6 (09) :1509-1513

[10] Phosphorene as a Superior Gas Sensor: Selective Adsorption and Distinct I-V Response [J].

Kou, Liangzhi ;

Frauenheim, Thomas ;

Chen, Changfeng .

JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2014, 5 (15) :2675-2681

← 1 2 3 →