The mechanical exfoliation mechanism of black phosphorus to phosphorene: A first-principles study

2015 ◽  
Vol 112 (3) ◽  
pp. 37003 ◽  
Author(s):  
Yunsheng Mu ◽  
M. S. Si
Keyword(s):  
First Principles ◽  
Black Phosphorus ◽  
Mechanical Exfoliation ◽  
First Principles Study

scholarly journals A first principles study of the interaction between two-dimensional black phosphorus and Al2O3dielectric

RSC Advances ◽  
2017 ◽  
Vol 7 (23) ◽  
pp. 13777-13783 ◽  
Author(s):  
Jie Sun ◽  
Na Lin ◽  
Cheng Tang ◽  
Hao Ren ◽  
Xian Zhao
Keyword(s):  
Electronic Properties ◽  
First Principles ◽  
Black Phosphorus ◽  
Two Dimensional ◽  
First Principles Calculations ◽  
First Principles Study

First principles calculations have been performed to study the structural, energetic, and electronic properties of BP on Al-terminated and hydroxylated Al2O3(0001) surfaces.

First-principles study on photovoltaic properties of 2D Cs2PbI4-black phosphorus heterojunctions

2020 ◽  
Vol 32 (19) ◽  
pp. 195501
Author(s):  
Yu-Qing Zhao ◽  
Ying Xu ◽  
Dai-Feng Zou ◽  
Jun-Nian Wang ◽  
Guo-Feng Xie ◽  
...  
Keyword(s):  
First Principles ◽  
Black Phosphorus ◽  
Photovoltaic Properties ◽  
First Principles Study

A first-principles study of doped black phosphorus carbide monolayers as NO2 and NH3 sensors

2019 ◽  
Vol 125 (7) ◽  
pp. 074501 ◽  
Author(s):  
Jing Zhang ◽  
Gui Yang ◽  
Di Yuan ◽  
Junlong Tian ◽  
Dongwei Ma
Keyword(s):  
First Principles ◽  
Black Phosphorus ◽  
First Principles Study

Wedge energy bands of monolayer black phosphorus: a first-principles study

2016 ◽  
Vol 28 (30) ◽  
pp. 305301
Author(s):  
Minwoo Park ◽  
Hyeonhu Bae ◽  
Seunghan Lee ◽  
Li Yang ◽  
Hoonkyung Lee
Keyword(s):  
First Principles ◽  
Black Phosphorus ◽  
Energy Bands ◽  
First Principles Study

A comparative first-principles study of the lithiation, sodiation, and magnesiation of black phosphorus for Li-, Na-, and Mg-ion batteries

2016 ◽  
Vol 18 (31) ◽  
pp. 21391-21397 ◽  
Author(s):  
K. P. S. S. Hembram ◽  
Hyun Jung ◽  
Byung Chul Yeo ◽  
Sung Jin Pai ◽  
Heon Ju Lee ◽  
...  
Keyword(s):  
First Principles ◽  
Black Phosphorus ◽  
First Principles Calculations ◽  
First Principles Study

Lithiation, sodiation, and magnesiation of black phosphorus are clarified and compared using first-principles calculations.

A black Phosphorus/BiVO4(010) heterostructure for promising photocatalytic performance: First-principles study

2020 ◽  
Vol 143 ◽  
pp. 109466 ◽  
Author(s):  
Rui Zhang ◽  
Guoqiang Hao ◽  
Hongbo Li ◽  
Xiaojun Ye ◽  
Shangpeng Gao ◽  
...  
Keyword(s):  
First Principles ◽  
Photocatalytic Performance ◽  
Black Phosphorus ◽  
First Principles Study

Structure and elastic properties of black phosphorus nanotubes: A first-principles study

2017 ◽  
Vol 254 (10) ◽  
pp. 1700276 ◽  
Author(s):  
Junhua Hao ◽  
Zhengjia Wang ◽  
Yongjin Peng ◽  
Yufang Wang
Keyword(s):  
Elastic Properties ◽  
First Principles ◽  
Black Phosphorus ◽  
First Principles Study
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