scholarly journals Surface Functionalization of the Honeycomb Structure of Zinc antimonide (ZnSb) Monolayer: a First-Principles study

2020 ◽  
pp. 121796
Author(s):  
A. Bafekry ◽  
M. Shahrokhi ◽  
M. Yagmurcukardes ◽  
D. Gogova ◽  
M. Ghergherehchi ◽  
...  
Keyword(s):  
Surface Functionalization ◽  
First Principles ◽  
Honeycomb Structure ◽  
Zinc Antimonide ◽  
First Principles Study

scholarly journals Conformers of hydrogenated SiC honeycomb structure: A first principles study

AIP Advances ◽  
2013 ◽  
Vol 3 (8) ◽  
pp. 082136 ◽  
Author(s):  
Seemita Banerjee ◽  
Chiranjib Majumder
Keyword(s):  
First Principles ◽  
Honeycomb Structure ◽  
First Principles Study

Electro-optical and mechanical properties of Zinc antimonide (ZnSb) monolayer and bilayer: A first-principles study

2021 ◽  
Vol 540 ◽  
pp. 148289 ◽  
Author(s):  
A. Bafekry ◽  
M. Yagmurcukardes ◽  
M. Shahrokhi ◽  
M. Ghergherehchi ◽  
D. Kim ◽  
...  
Keyword(s):  
Mechanical Properties ◽  
First Principles ◽  
Zinc Antimonide ◽  
First Principles Study ◽  
Optical And Mechanical Properties

scholarly journals Effects of graphene/BN encapsulation, surface functionalization and molecular adsorption on the electronic properties of layered InSe: a first-principles study

2018 ◽  
Vol 20 (18) ◽  
pp. 12939-12947 ◽  
Author(s):  
Andrey A. Kistanov ◽  
Yongqing Cai ◽  
Kun Zhou ◽  
Sergey V. Dmitriev ◽  
Yong-Wei Zhang
Keyword(s):  
Fermi Level ◽  
Work Function ◽  
Electronic Properties ◽  
Surface Functionalization ◽  
First Principles ◽  
Molecular Adsorption ◽  
Band Bending ◽  
Fermi Level Pinning ◽  
First Principles Study ◽  
P Type

A proper adoption of the n- or p-type dopants allows for the modulation of the work function, the Fermi level pinning, the band bending, and the photo-adsorbing efficiency near the InSe surface/interface.

Surface functionalization of molybdenum dinitride nanosheets by halogen and alkali atoms: a first-principles study

2017 ◽  
Vol 5 (3) ◽  
pp. 683-689 ◽  
Author(s):  
Yi Ding ◽  
Yanli Wang
Keyword(s):  
Electronic Properties ◽  
Surface Functionalization ◽  
First Principles ◽  
Alkali Atom ◽  
First Principles Study ◽  
Alkali Atoms

Surface functionalization brings diverse electronic properties to MoN2 sheets, which even possess partially occupied NFE states with alkali atom decorations.

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