Structural stability, electronic and optical properties of Zr-Al-N ternary nitrides using the first-principles explorations
C Yang, Y Duan, X Wang, M Peng, L Shen… - Materials Today …, 2022 - Elsevier
In this paper, the research focuses on the systematic discussion of the structural, electronic,
phononic, and optical properties of Zr-Al-N ternary nitrides using first-principles calculations …
phononic, and optical properties of Zr-Al-N ternary nitrides using first-principles calculations …
Effect of vacancy defects and hydrogen, oxygen and nitrogen atomic occupation on the mechanical and electronic properties of C40-type VSi2
X Chen, X Zhang, F Wang - Chemical Physics Letters, 2023 - Elsevier
To improve the inherent brittle and mechanical properties of VSi 2, the effect of vacancy
defects and Hydrogen, Oxygen and Nitrogen atomic occupation on the physical properties of …
defects and Hydrogen, Oxygen and Nitrogen atomic occupation on the physical properties of …
The investigation on the structural, electronic and optical properties of wide band gap semiconductor material Bi24M2O40 (M= Si, Ge, As, P)
Y Geng, X Zhang, F Wang - Chemical Physics Letters, 2025 - Elsevier
The mechanical, optical, electrical and thermal properties of Bi 24 M 2 O 40 (M= Si, Ge, As,
P) are calculated by using the first-principles calculations based on density functional. The …
P) are calculated by using the first-principles calculations based on density functional. The …
Theoretical predictions of the electronic, optical and thermodynamic properties of the C40-type TMSi2 (TM= V, Nb and Ta) disilicides
C Yang, Y Wu, Y Duan - Materials Today Communications, 2022 - Elsevier
With the aim of having a more specific comprehension of the physical properties and offering
support in theory to the using of the C40-type TMSi 2 (TM= V, Nb and Ta) disilicides, the …
support in theory to the using of the C40-type TMSi 2 (TM= V, Nb and Ta) disilicides, the …
[图书][B] Theoretical and Experimental Study of the Catalytic Role of Substrate Surfaces in Deposition Processes
NM Ashburn - 2021 - search.proquest.com
Catalysis is largely important to many processes and aspects of modern technology.
Catalysts have crucial roles in chemical synthesis, energy applications from pollution control …
Catalysts have crucial roles in chemical synthesis, energy applications from pollution control …