scholarly journals Systematic Study of Monolayer to Trilayer CrI3: Stacking Sequence Dependence of Electronic Structure and Magnetism

2021 ◽  
Author(s):  
Duo Wang ◽  
Biplab Sanyal
Keyword(s):  
Electronic Structure ◽  
Systematic Study ◽  
Stacking Sequence ◽  
Sequence Dependence

Electronic structure modulation of NiS2 by transition metal doping for accelerating the hydrogen evolution reaction

2019 ◽  
Vol 7 (9) ◽  
pp. 4971-4976 ◽  
Author(s):  
Tongtong Wang ◽  
Xiaosong Guo ◽  
Jingyan Zhang ◽  
Wen Xiao ◽  
Pinxian Xi ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Catalytic Activity ◽  
Transition Metal ◽  
Hydrogen Evolution Reaction ◽  
Systematic Study ◽  
First Principles ◽  
Transition Metal Doping ◽  
First Principles Calculations ◽  
Structure Modulation ◽  
Metal Doped

We give a systematic study of the HER catalytic activity of transition metal doped NiS2 by first principles calculations and experiments.

scholarly journals Understanding doping strategies in the design of organic electrode materials for Li and Na ion batteries: an electronic structure perspective

2017 ◽  
Vol 19 (20) ◽  
pp. 13195-13209 ◽  
Author(s):  
Johann Lüder ◽  
Mun Ho Cheow ◽  
Sergei Manzhos
Keyword(s):  
Electronic Structure ◽  
Small Molecules ◽  
Systematic Study ◽  
Electrode Materials ◽  
N Doping ◽  
Organic Electrode

In this paper, we present a systematic study of the effects of p- and n-doping in small molecules on the voltage and capacity of organic electrode materials for electrochemical batteries.

scholarly journals Atomic and electronic structure of trilayer graphene/SiC(0001): Evidence of Strong Dependence on Stacking Sequence and charge transfer

2016 ◽  
Vol 6 (1) ◽  
Author(s):  
Debora Pierucci ◽  
Thomas Brumme ◽  
Jean-Christophe Girard ◽  
Matteo Calandra ◽  
Mathieu G. Silly ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Charge Transfer ◽  
Strong Dependence ◽  
Stacking Sequence ◽  
Trilayer Graphene ◽  
Atomic And Electronic Structure

Systematic study on the electronic structure and mechanical properties of X2BC (X = Mo, Ti, V, Zr, Nb, Hf, Ta and W)

2012 ◽  
Vol 25 (4) ◽  
pp. 045501 ◽  
Author(s):  
H Bolvardi ◽  
J Emmerlich ◽  
M to Baben ◽  
D Music ◽  
J von Appen ◽  
...  
Keyword(s):  
Mechanical Properties ◽  
Electronic Structure ◽  
Systematic Study

ELECTRONIC STATES OF NANOSTRUCTURES OF CURVED GRAPHITIC CARBON CAGES

1996 ◽  
Vol 03 (01) ◽  
pp. 835-842 ◽  
Author(s):  
M. TSUKADA ◽  
K. AKAGI ◽  
R. TAMURA ◽  
S. IHARA
Keyword(s):  
Carbon Nanotubes ◽  
Electronic Structure ◽  
Systematic Study ◽  
Tight Binding ◽  
Electronic States ◽  
Graphitic Carbon ◽  
Graphitic Layer ◽  
Binding Models ◽  
Structure Of Carbon Nanotubes

Electronic structure of carbon nanotubes with cap and that of the helically coiled nanotubes are studied by the simple tight-binding models. The method of the development map is used for a systematic study of the electronic states. Several remarkable features of these cage structures are found and the relation to the topological disorders due to the disclination centers is discussed, which are inherent to the curved graphitic layer.

scholarly journals Electronic Structure of Lanthanide-Doped Bismuth Vanadates: A Systematic Study by X-ray Photoelectron and Optical Spectroscopies

2019 ◽  
Vol 123 (14) ◽  
pp. 8484-8499
Author(s):  
Matthew D. M. Robinson ◽  
Freddy E. Oropeza ◽  
Meiyan Cui ◽  
Kelvin H. L. Zhang ◽  
Mareike V. Hohmann ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Systematic Study ◽  
X Ray ◽  
Bismuth Vanadates
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