Band gap Engineering of ZnO via transition metal Doping: An ab initio study

2021 ◽  
Vol 781 ◽  
pp. 138979
Author(s):  
Muhammad Abdul Moiz ◽  
Abdullah Mumtaz ◽  
Muhammad Salman ◽  
Syed Wilayat Husain ◽  
Abrar H Baluch ◽  
...  
Keyword(s):  
Transition Metal ◽  
Ab Initio ◽  
Band Gap ◽  
Transition Metal Doping ◽  
Ab Initio Study ◽  
Metal Doping ◽  
Band Gap Engineering

Transition metal doping of Mg2FeH6 – a DFT insight into synthesis and electronic structure

2014 ◽  
Vol 16 (24) ◽  
pp. 12356-12361 ◽  
Author(s):  
Katarina Batalović ◽  
Jana Radaković ◽  
Jelena Belošević-Čavor ◽  
Vasil Koteski
Keyword(s):  
Electronic Structure ◽  
Transition Metal ◽  
Band Gap ◽  
Transition Metal Doping ◽  
Metal Doping ◽  
Insight Into

An insight into formation and stability of Mg2Fe3/4M1/4H6 (M = Mn, Fe, Co, Ni) reveals how doping destabilizes Mg2FeH6 and reduces the band gap.

Band gap engineering of a MoS2 monolayer through oxygen alloying: an ab initio study

2018 ◽  
Vol 29 (50) ◽  
pp. 505701 ◽  
Author(s):  
N F Andriambelaza ◽  
R E Mapasha ◽  
N Chetty
Keyword(s):  
Ab Initio ◽  
Band Gap ◽  
Ab Initio Study ◽  
Band Gap Engineering ◽  
Mos2 Monolayer

scholarly journals Correction: Intrinsic defect formation and the effect of transition metal doping on transport properties in a ductile thermoelectric material α-Ag2S: a first-principles study

2021 ◽  
Author(s):  
Ho Ngoc Nam ◽  
Ryo Yamada ◽  
Haruki Okumura ◽  
Tien Quang Nguyen ◽  
Katsuhiro Suzuki ◽  
...  
Keyword(s):  
Transition Metal ◽  
Transport Properties ◽  
Thermoelectric Material ◽  
First Principles ◽  
Defect Formation ◽  
Chem Phys ◽  
Intrinsic Defect ◽  
Transition Metal Doping ◽  
Metal Doping ◽  
First Principles Study

Correction for ‘Intrinsic defect formation and the effect of transition metal doping on transport properties in a ductile thermoelectric material α-Ag2S: a first-principles study’ by Ho Ngoc Nam et al., Phys. Chem. Chem. Phys., 2021, DOI: 10.1039/d0cp06624a.

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