Activation Strategy of MoS2 as HER Electrocatalyst through Doping-Induced Lattice Strain, Band Gap Engineering, and Active Crystal Plane Design

2021 ◽  
Author(s):  
Saikat Bolar ◽  
Subhasis Shit ◽  
Naresh Chandra Murmu ◽  
Pranab Samanta ◽  
Tapas Kuila
Keyword(s):  
Band Gap ◽  
Lattice Strain ◽  
Crystal Plane ◽  
Band Gap Engineering ◽  
Active Crystal

Temperature-dependent study of GaAs1−x−y N x Bi y alloys for band-gap engineering: photoreflectance and k · p modeling

2020 ◽  
Vol 13 (9) ◽  
pp. 091005
Author(s):  
Wiktor Żuraw ◽  
Wojciech M. Linhart ◽  
Jordan Occena ◽  
Tim Jen ◽  
Jared. W. Mitchell ◽  
...  
Keyword(s):  
Band Gap ◽  
Temperature Dependent ◽  
Band Gap Engineering ◽  
Temperature Dependent Study

Band Gap Engineering in Spray Pyrolysis Grown Nanocrystalline NiO Thin Films by Fe Doping

2019 ◽  
Vol 11 (4) ◽  
pp. 04015-1-04015-6
Author(s):  
H. S. Gavale ◽  
◽  
M. S. Wagh ◽  
S. R. Gosavi ◽  
◽  
...  
Keyword(s):  
Thin Films ◽  
Band Gap ◽  
Spray Pyrolysis ◽  
Fe Doping ◽  
Band Gap Engineering

Band-gap engineering of the h-BN/MoS2/h-BN sandwich heterostructure under an external electric field

2015 ◽  
Vol 48 (20) ◽  
pp. 205302 ◽  
Author(s):  
Zongyu Huang ◽  
Xiang Qi ◽  
Hong Yang ◽  
Chaoyu He ◽  
Xiaolin Wei ◽  
...  
Keyword(s):  
Electric Field ◽  
Band Gap ◽  
External Electric Field ◽  
Band Gap Engineering

scholarly journals DFT Study of the Electronic Structure of Cubic-SiC Nanopores with a C-Terminated Surface

2014 ◽  
Vol 2014 ◽  
pp. 1-7 ◽  
Author(s):  
M. Calvino ◽  
A. Trejo ◽  
M. I. Iturrios ◽  
M. C. Crisóstomo ◽  
Eliel Carvajal ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Band Gap ◽  
Density Functional ◽  
Surface Passivation ◽  
Phase Changes ◽  
Surface Relaxation ◽  
Oh Radicals ◽  
Functional Theory ◽  
Band Gap Engineering ◽  
Chemical Surface

A study of the dependence of the electronic structure and energetic stability on the chemical surface passivation of cubic porous silicon carbide (pSiC) was performed using density functional theory (DFT) and the supercell technique. The pores were modeled by removing atoms in the [001] direction to produce a surface chemistry composed of only carbon atoms (C-phase). Changes in the electronic states of the porous structures were studied by using different passivation schemes: one with hydrogen (H) atoms and the others gradually replacing pairs of H atoms with oxygen (O) atoms, fluorine (F) atoms, and hydroxide (OH) radicals. The results indicate that the band gap behavior of the C-phase pSiC depends on the number of passivation agents (other than H) per supercell. The band gap decreased with an increasing number of F, O, or OH radical groups. Furthermore, the influence of the passivation of the pSiC on its surface relaxation and the differences in such parameters as bond lengths, bond angles, and cell volume are compared between all surfaces. The results indicate the possibility of nanostructure band gap engineering based on SiC via surface passivation agents.

scholarly journals Band-Gap Engineering by III-V Infill in Sodalite

1996 ◽  
Vol 77 (27) ◽  
pp. 5405-5408 ◽  
Author(s):  
A. Trave ◽  
F. Buda ◽  
A. Fasolino
Keyword(s):  
Band Gap ◽  
Band Gap Engineering
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