The structural, electronic and catalytic properties of Aun (n = 1–4) nanoclusters on monolayer MoS2

Hui Zhang; Jia Zhu; Hongge Zhang; Jinyan Zhang; Yongfan Zhang; Zhang-Hui Lu

doi:10.1039/c7ra07591j

The structural, electronic and catalytic properties of Aun (n = 1–4) nanoclusters on monolayer MoS2

RSC Advances ◽

10.1039/c7ra07591j ◽

2017 ◽

Vol 7 (67) ◽

pp. 42529-42540 ◽

Cited By ~ 2

Author(s):

Hui Zhang ◽

Jia Zhu ◽

Hongge Zhang ◽

Jinyan Zhang ◽

Yongfan Zhang ◽

...

Keyword(s):

Structural Stability ◽

Dft Calculation ◽

Catalytic Properties ◽

Van Der Waals ◽

First Principle ◽

Monolayer Mos2

The structural stability, electronic and catalytic properties of Aun (n = 1–4) nanoclusters supported on monolayer MoS2 have been investigated based on first principle DFT calculation with van der Waals (vdW) corrections.

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Comparative study of van der Waals interaction in monolayer MoS2/Blue Phosphorene and monolayer WS2/Blue Phosphorene based heterostructures: first principle investigations

Low-Dimensional Materials and Devices 2020 ◽

10.1117/12.2567909 ◽

2020 ◽

Author(s):

Nivedita Pandey ◽

Subhananda Chakrabarti

Keyword(s):

Comparative Study ◽

Van Der Waals ◽

Van Der Waals Interaction ◽

First Principle ◽

Monolayer Mos2 ◽

Blue Phosphorene

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STACKING FAULTS, TWINS, AND THE STRUCTURAL STABILITY OF VAN DER WAALS SOLIDS

Le Journal de Physique Colloques ◽

10.1051/jphyscol:1974711 ◽

1974 ◽

Vol 35 (C7) ◽

pp. C7-113-C7-119 ◽

Cited By ~ 2

Author(s):

J. A. VENABLES ◽

C. A. ENGLISH ◽

K. F. NIEBEL ◽

G. J. TATLOCK

Keyword(s):

Structural Stability ◽

Van Der Waals ◽

Stacking Faults

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Tunable electronic properties of two-dimensional type-I 1T-SN2/hBN and type-II 1T-XN2/hBN (X = Se, Te) van der Waals heterostructures from first-principle study

Applied Surface Science ◽

10.1016/j.apsusc.2020.148659 ◽

2021 ◽

Vol 542 ◽

pp. 148659

Author(s):

Xiang-Yue Liu ◽

Hua-Dong Zeng ◽

Hong Zhang ◽

Xin-Lu Cheng

Keyword(s):

Electronic Properties ◽

Van Der Waals ◽

Type I ◽

First Principle ◽

Type Ii ◽

Two Dimensional ◽

Van Der Waals Heterostructures

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Study of photogenerated exciton dissociation in transition metal dichalcogenide van der Waals heterojunction A2-MWS4: A first-principle study

Physical Chemistry Chemical Physics ◽

10.1039/d1cp03857e ◽

2021 ◽

Author(s):

Hong Cui ◽

yazhou wang ◽

Tong Liu ◽

Yunjian Chen ◽

Pengyue Shan ◽

...

Keyword(s):

Hydrogen Production ◽

Transition Metal ◽

Production Efficiency ◽

Van Der Waals ◽

Transition Metal Dichalcogenide ◽

First Principle ◽

Exciton Dissociation ◽

Photocatalytic Hydrogen Production

In order to explore the photocatalytic hydrogen production efficiency of MoS2/WSe2 heterostructure (A2-MWS4) as photocatalysts, It is highly desirable to study the photogenerated exciton dissociation related to photocatalysis. The electronic...

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Van der Waals heterostructure of graphene Defected&Doped X(X = Au, N) composite ZnO monolayer: A First Principle study

Materials Science in Semiconductor Processing ◽

10.1016/j.mssp.2021.106247 ◽

2022 ◽

Vol 138 ◽

pp. 106247

Author(s):

Aina Gong ◽

Tao Shen ◽

Yue Feng ◽

Jiaojiao Chen ◽

Zhenjia Wang

Keyword(s):

Van Der Waals ◽

First Principle ◽

Van Der Waals Heterostructure

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Prediction of New Hydrogen Storage Materials: Structural Stability of SrAlH3 from First Principle Calculation

Springer Proceedings in Energy - Advances in Renewable Hydrogen and Other Sustainable Energy Carriers ◽

10.1007/978-981-15-6595-3_16 ◽

2020 ◽

pp. 113-119

Author(s):

Youcef Bouhadda ◽

Kamel Benyelloul ◽

N. Fenineche ◽

M. Bououdina

Keyword(s):

Hydrogen Storage ◽

Structural Stability ◽

First Principle ◽

Hydrogen Storage Materials ◽

Principle Calculation ◽

First Principle Calculation ◽

Storage Materials

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Structural, stability, electronic, optical and thermodynamic properties of hydrogenated germanene using first-principle calculations

Materials Science and Engineering B ◽

10.1016/j.mseb.2020.114584 ◽

2020 ◽

Vol 259 ◽

pp. 114584

Author(s):

R. Santosh ◽

Anita Sinha ◽

V. Kumar

Keyword(s):

Thermodynamic Properties ◽

Structural Stability ◽

First Principle ◽

First Principle Calculations

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Probing the electronic structure and photocatalytic performance of g-SiC/MoSSe van der Waals heterostructures: A first-principle study

Applied Surface Science ◽

10.1016/j.apsusc.2020.147708 ◽

2021 ◽

Vol 536 ◽

pp. 147708

Author(s):

Tingting Zhao ◽

Jian Chen ◽

Xudong Wang ◽

Man Yao

Keyword(s):

Electronic Structure ◽

Photocatalytic Performance ◽

Van Der Waals ◽

First Principle ◽

Van Der Waals Heterostructures

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Oxygen vacancies confined in nickel oxide nanoprism arrays for promoted electrocatalytic water splitting

New Journal of Chemistry ◽

10.1039/c9nj05940g ◽

2020 ◽

Vol 44 (5) ◽

pp. 1703-1706 ◽

Cited By ~ 1

Author(s):

Xiaoshuang Zhang ◽

Xiaoqiang Du

Keyword(s):

Nickel Oxide ◽

Water Splitting ◽

Adsorption Energy ◽

Active Sites ◽

Oxygen Vacancies ◽

Dft Calculation ◽

Catalytic Properties ◽

Calculation Results

Experimental and DFT calculation results show that the presence of oxygen vacancies can decrease the adsorption energy of intermediates at active sites and facilitate the adsorption of intermediates, thus improving the catalytic properties.

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