scholarly journals Inclination of self-interstitial dumbbells in molybdenum and tungsten: A first-principles study

AIP Advances ◽  
2021 ◽  
Vol 11 (6) ◽  
pp. 065012
Author(s):  
T. Suzudo ◽  
T. Tsuru
Keyword(s):  
First Principles ◽  
First Principles Study ◽  
And Tungsten

Interactions between hydrogen and tungsten carbide: a first principles study

RSC Advances ◽  
2014 ◽  
Vol 4 (75) ◽  
pp. 39912 ◽  
Author(s):  
Yongjie Xi ◽  
Liang Huang ◽  
Robert C. Forrey ◽  
Hansong Cheng
Keyword(s):  
Tungsten Carbide ◽  
First Principles ◽  
First Principles Study ◽  
And Tungsten

The hydrogen-induced structural stability and promising electronic properties of molybdenum and tungsten dinitride nanosheets: a first-principles study

2016 ◽  
Vol 4 (31) ◽  
pp. 7485-7493 ◽  
Author(s):  
Yanli Wang ◽  
Yi Ding
Keyword(s):  
Transition Metal ◽  
Electronic Properties ◽  
Structural Stability ◽  
First Principles ◽  
First Principles Study ◽  
And Tungsten

Transition-metal dinitride nanosheets can be well stabilized by hydrogenation, which brings tunable electronic properties depending on structural conformations.

Strain tuned high thermal conductivity in boron phosphide at nanometer length scales – a first-principles study

2020 ◽  
Vol 22 (36) ◽  
pp. 20914-20921 ◽  
Author(s):  
Rajmohan Muthaiah ◽  
Jivtesh Garg
Keyword(s):  
Thermal Conductivity ◽  
First Principles ◽  
High Thermal Conductivity ◽  
Biaxial Strain ◽  
Length Scales ◽  
First Principles Study ◽  
Boron Phosphide

We report novel pathways to significantly enhance the thermal conductivity at nanometer length scales in boron phosphide through biaxial strain.

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