First-principles study of vacancy defects at interfaces between monolayer MoS2 and Au

Xiaoqian Qiu; Yiren Wang; Yong Jiang

doi:10.1039/d0ra04833j

First-principles study of vacancy defects at interfaces between monolayer MoS2 and Au

RSC Advances ◽

10.1039/d0ra04833j ◽

2020 ◽

Vol 10 (48) ◽

pp. 28725-28730

Author(s):

Xiaoqian Qiu ◽

Yiren Wang ◽

Yong Jiang

Keyword(s):

Contact Resistance ◽

First Principles ◽

Electron Injection ◽

Monolayer Mos2 ◽

Injection Efficiency ◽

Vacancy Defects ◽

First Principles Study ◽

Electronic Performance ◽

Lower Contact ◽

Electron Injection Efficiency

Energetically favorable S(hollow)-vacancy has lower contact resistance and higher electron injection efficiency, resulting in better electronic performance in defective Au–MoS2 contact.

First-Principles Approach for Assessing Cold Electron Injection Efficiency of Dye-Sensitized Solar Cell: Elucidation of Mechanism of Charge Injection and Recombination

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.9b10616 ◽

2020 ◽

Vol 124 (5) ◽

pp. 2817-2836 ◽

Cited By ~ 1

Author(s):

Pabitra Narayan Samanta ◽

D. Majumdar ◽

Szczepan Roszak ◽

Jerzy Leszczynski

Keyword(s):

Solar Cell ◽

First Principles ◽

Charge Injection ◽

Electron Injection ◽

Dye Sensitized Solar Cell ◽

Cold Electron ◽

Injection Efficiency ◽

Dye Sensitized ◽

Electron Injection Efficiency

First Principles Study on Properties of Monolayer MoS2 Under Different Strains

Brazilian Journal of Physics ◽

10.1007/s13538-021-00927-2 ◽

2021 ◽

Author(s):

Yanping Wang ◽

Shan Huang ◽

Hui Zhao ◽

Kaiyuan Liu

Keyword(s):

First Principles ◽

Monolayer Mos2 ◽

First Principles Study ◽

Different Strains

Ultrafast Relaxation as a Possible Limiting Factor of Electron Injection Efficiency in Black Dye Sensitized Nanocrystalline TiO2 Films

The Journal of Physical Chemistry C ◽

10.1021/jp302768q ◽

2012 ◽

Vol 116 (42) ◽

pp. 22301-22306 ◽

Cited By ~ 17

Author(s):

Ryuzi Katoh ◽

Akihiro Furube ◽

Nobuhiro Fuke ◽

Atsushi Fukui ◽

Naoki Koide

Keyword(s):

Electron Injection ◽

Limiting Factor ◽

Tio2 Films ◽

Nanocrystalline Tio2 ◽

Injection Efficiency ◽

Dye Sensitized ◽

Ultrafast Relaxation ◽

Electron Injection Efficiency

Assembling γ-graphyne surrounding TiO2 nanotube arrays: An efficient p-n heterojunction for boosting photoelectrochemical water splitting

Dalton Transactions ◽

10.1039/d1dt01810h ◽

2021 ◽

Author(s):

Dong Qiu ◽

Chengli He ◽

Yuxuan Lu ◽

Qiaodan Li ◽

Yang Chen ◽

...

Keyword(s):

Water Splitting ◽

Charge Separation ◽

Hydrogen Generation ◽

Electron Injection ◽

Tio2 Nanotube Arrays ◽

Tio2 Nanotube ◽

Photoelectrochemical Water Splitting ◽

Nanotube Arrays ◽

Injection Efficiency ◽

Electron Injection Efficiency

Photoelectrochemical water splitting is an excellent strategy for hydrogen generation, and it is pivotal to develop photoanodes with proficient sunlight harvesting, rapid charge separation, and enhanced electron injection efficiency. In...

A first-principles study of the effect of doping and vacancy defects on the magnetic properties of ZnSnAs2:V

Indian Journal of Physics ◽

10.1007/s12648-021-02188-w ◽

2021 ◽

Author(s):

V. N. Jafarova ◽

G. S. Orudzhev

Keyword(s):

Magnetic Properties ◽

First Principles ◽

Vacancy Defects ◽

First Principles Study ◽

Effect Of Doping

Highly Enhanced Electron-Injection Efficiency in GaAs-Based Light-Emitting Diodes Using a Fe/GaOxTunnel Injector

Applied Physics Express ◽

10.1143/apex.2.083003 ◽

2009 ◽

Vol 2 ◽

pp. 083003 ◽

Cited By ~ 5

Author(s):

Hidekazu Saito ◽

Jean C. Le Breton ◽

Vadym Zayets ◽

Shinji Yuasa ◽

Koji Ando

Keyword(s):

Light Emitting Diodes ◽

Electron Injection ◽

Injection Efficiency ◽

Light Emitting ◽

Electron Injection Efficiency

Tailoring electroluminescence characteristics with enhanced electron injection efficiency in organic light emitting diodes by doping engineering

Journal of Materials Science Materials in Electronics ◽

10.1007/s10854-018-0529-4 ◽

2018 ◽

Vol 30 (3) ◽

pp. 2545-2551

Author(s):

Xi Chang ◽

Guoliang Xing ◽

Xinying Wang ◽

Guiying Ding ◽

Wenlong Jiang ◽

...

Keyword(s):

Light Emitting Diodes ◽

Electron Injection ◽

Organic Light Emitting Diodes ◽

Injection Efficiency ◽

Light Emitting ◽

Organic Light ◽

Electron Injection Efficiency

Formaldehyde molecule adsorption on the doped monolayer MoS2: A first-principles study

Applied Surface Science ◽

10.1016/j.apsusc.2016.02.230 ◽

2016 ◽

Vol 371 ◽

pp. 180-188 ◽

Cited By ~ 66

Author(s):

Dongwei Ma ◽

Weiwei Ju ◽

Tingxian Li ◽

Gui Yang ◽

Chaozheng He ◽

...

Keyword(s):

First Principles ◽

Monolayer Mos2 ◽

First Principles Study ◽

Molecule Adsorption ◽

Formaldehyde Molecule

Enhancing photocatalytic activity in monolayer MoS2 by charge compensated co-doping with P and Cl: First principles study

Molecular Catalysis ◽

10.1016/j.mcat.2019.02.002 ◽

2019 ◽

Vol 468 ◽

pp. 94-99 ◽

Cited By ~ 2

Author(s):

Yafei Zhao ◽

Yizhe Sun ◽

Xiaoying Hu ◽

Jian Tu ◽

Qinwu Gao ◽

...

Keyword(s):

Photocatalytic Activity ◽

First Principles ◽

Monolayer Mos2 ◽

Co Doping ◽

First Principles Study

Influence of Mo-vacancy concentration on the structural, electronic and optical properties of monolayer MoS2: A first-principles study

Materials Chemistry and Physics ◽

10.1016/j.matchemphys.2018.01.015 ◽

2018 ◽

Vol 209 ◽

pp. 146-151 ◽

Cited By ~ 11

Author(s):

Li-ping Feng ◽

Han-qing Sun ◽

Ao Li ◽

Jie Su ◽

Yan Zhang ◽

...

Keyword(s):

Optical Properties ◽

First Principles ◽

Vacancy Concentration ◽

Monolayer Mos2 ◽

Electronic And Optical Properties ◽

First Principles Study