Role of lone-pair electrons in determining thermal transport behavior of LiAsS2: First-principle investigation

CrystEngComm ◽  
2021 ◽  
Author(s):  
Guojun Liang ◽  
Shijun Li ◽  
Yanlu Li ◽  
Lei Wei ◽  
Xian Zhao
Keyword(s):  
Nonlinear Optic ◽  
Thermal Transport ◽  
Lone Pair ◽  
First Principle ◽  
Transport Behavior ◽  
Lone Pairs ◽  
Lone Pair Electrons

As3+ cation possessing stereochemically active lone pairs (SALP), leads to high SHG coefficients of nonlinear-optic crystal LiAsS2, but the role of SALP in determining thermal transport behavior of LiAsS2 is...

p-Type conductivity of GeTe: The role of lone-pair electrons

2012 ◽  
Vol 249 (10) ◽  
pp. 1902-1906 ◽  
Author(s):  
Alexander V. Kolobov ◽  
Paul Fons ◽  
Junji Tominaga
Keyword(s):  
Lone Pair ◽  
Type Conductivity ◽  
P Type ◽  
Lone Pair Electrons

Protonation and microwave-assisted heating induced excitation of lone-pair electrons in graphitic carbon nitride for increased photocatalytic hydrogen generation

2019 ◽  
Vol 7 (35) ◽  
pp. 20223-20228 ◽  
Author(s):  
Dandan Wu ◽  
Shaonian Hu ◽  
Hongyun Xue ◽  
Xiaojuan Hou ◽  
Haiwei Du ◽  
...  
Keyword(s):  
Carbon Nitride ◽  
Hydrogen Generation ◽  
Lone Pair ◽  
Graphitic Carbon ◽  
Graphitic Carbon Nitride ◽  
Microwave Assisted ◽  
Photocatalytic Hydrogen Generation ◽  
Lone Pairs ◽  
Lone Pair Electrons ◽  
Generation Activity

Graphitic carbon nitride (g-C3N4) with pronounced excitation of lone pairs enhances its photocatalytic hydrogen (H2) generation activity.

Role of iso-electronic Ru5+ in thermal transport behavior of YMn1-xRuxO3 compounds

2016 ◽  
Vol 688 ◽  
pp. 280-287 ◽  
Author(s):  
Rajesh K. Thakur ◽  
Rasna Thakur ◽  
N. Kaurav ◽  
V. Ganesan ◽  
G.S. Okram ◽  
...  
Keyword(s):  
Thermal Transport ◽  
Transport Behavior
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