Structure and energetics of silicon clusters adsorbed on the Au(111) surface: a first principles study

2010 ◽  
Vol 7 (9/10/11/12) ◽  
pp. 833 ◽  
Author(s):  
Sudip Chakraborty ◽  
S.V. Ghaisas ◽  
Chiranjib Majumder
Keyword(s):  
First Principles ◽  
Silicon Clusters ◽  
First Principles Study

scholarly journals First-principles study on the Li-storage performance of silicon clusters and graphene composite structure

2012 ◽  
Vol 61 (7) ◽  
pp. 073601
Author(s):  
Wu Jiang-Bin ◽  
Qian Yao ◽  
Guo Xiao-Jie ◽  
Cui Xian-Hui ◽  
Miao Ling ◽  
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Keyword(s):  
Composite Structure ◽  
First Principles ◽  
Silicon Clusters ◽  
Graphene Composite ◽  
Storage Performance ◽  
First Principles Study ◽  
Li Storage

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Vol 27 (3) ◽  
pp. 983-992 ◽  
Author(s):  
Jing Li ◽  
Lei Zhang ◽  
Zhen-Hai Gao ◽  
Shuai Zhang ◽  
Cheng Lu ◽  
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Keyword(s):  
Electronic Properties ◽  
First Principles ◽  
Silicon Clusters ◽  
First Principles Study

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.

First-principles study of two-dimensional bilayer GaN: structure, electronic properties and temperature effect

2019 ◽  
Vol 58 (SC) ◽  
pp. SCCB35 ◽  
Author(s):  
Tomoe Yayama ◽  
Anh Khoa Augustin Lu ◽  
Tetsuya Morishita ◽  
Takeshi Nakanishi
Keyword(s):  
Temperature Effect ◽  
Electronic Properties ◽  
First Principles ◽  
Two Dimensional ◽  
First Principles Study
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