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.

scholarly journals Substitutional transition metal doping in MoS2: a first-principles study

Nano Express ◽  
2020 ◽  
Vol 1 (1) ◽  
pp. 010008 ◽  
Author(s):  
Anthony Yoshimura ◽  
Nikhil Koratkar ◽  
Vincent Meunier
Keyword(s):  
Transition Metal ◽  
First Principles ◽  
Transition Metal Doping ◽  
Metal Doping ◽  
First Principles Study

Effect of transition metal doping on Cr–Ru alloys using first principles approach

2020 ◽  
Vol 43 (1) ◽  
Author(s):  
B O Mnisi ◽  
E M Benecha ◽  
H R Chauke ◽  
P E Ngoepe ◽  
M M Tibane
Keyword(s):  
Transition Metal ◽  
First Principles ◽  
Transition Metal Doping ◽  
Metal Doping

Influence of transition metal doping on the structural and transport properties of LaCoO3 cobaltite

2020 ◽  
Author(s):  
Shivendra Tiwari ◽  
M. Saleem ◽  
N. Bajpai ◽  
M. Soni ◽  
A. Mishra
Keyword(s):  
Transition Metal ◽  
Transport Properties ◽  
Transition Metal Doping ◽  
Metal Doping

Intrinsic defect formation and effect of transition metals doping on transport property in ductile thermoelectric material α-Ag2S: First-principles study

2021 ◽  
Author(s):  
Ho Ngoc Nam ◽  
Ryo Yamada ◽  
Haruki Okumura ◽  
Tien Quang Nguyen ◽  
Katsuhiro Suzuki ◽  
...  
Keyword(s):  
Transport Property ◽  
Thermoelectric Material ◽  
First Principles ◽  
Defect Formation ◽  
Boltzmann Transport Equation ◽  
Intrinsic Defect ◽  
First Principles Calculations ◽  
Boltzmann Transport ◽  
Relaxation Time Approximation ◽  
Constant Relaxation Time

In this paper, the electronic structure and transport property of ductile thermoelectric material α-Ag2S are examined by the first-principles calculations combining with Boltzmann transport equation within the constant relaxation-time approximation....

scholarly journals Understanding the electronic and phonon transport properties of a thermoelectric material BiCuSeO: a first-principles study

2017 ◽  
Vol 19 (20) ◽  
pp. 12913-12920 ◽  
Author(s):  
D. D. Fan ◽  
H. J. Liu ◽  
L. Cheng ◽  
J. Zhang ◽  
P. H. Jiang ◽  
...  
Keyword(s):  
Transport Properties ◽  
Thermoelectric Material ◽  
First Principles ◽  
Transport Theory ◽  
Phonon Transport ◽  
Pseudopotential Method ◽  
Boltzmann Transport ◽  
Comprehensive Understanding ◽  
First Principles Study ◽  
Boltzmann Transport Theory

Using the first-principles pseudopotential method and Boltzmann transport theory, we give a comprehensive understanding of the electronic and phonon transport properties of a thermoelectric material BiCuSeO.

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