Adsorption of light mercaptans over metal (Co, Cu, Fe, Ni) doped hexagonal boron nitride nanosheets: a first-principles study

2019 ◽  
Vol 25 (5) ◽  
Author(s):  
Zahra Moghadaszadeh ◽  
Mohammad Reza Toosi ◽  
Mohammad Reza Zardoost
Keyword(s):  
Boron Nitride ◽  
First Principles ◽  
Hexagonal Boron Nitride ◽  
Boron Nitride Nanosheets ◽  
First Principles Study

First-principles study of plutonium adsorption on perfect and defective graphene and hexagonal boron nitride

2018 ◽  
Vol 5 (5) ◽  
pp. 055041 ◽  
Author(s):  
Shujing Li ◽  
Mei Zhou ◽  
Menglei Li ◽  
Xiaohui Wang ◽  
Fawei Zheng ◽  
...  
Keyword(s):  
Boron Nitride ◽  
First Principles ◽  
Hexagonal Boron Nitride ◽  
First Principles Study ◽  
Defective Graphene

Moiré superstructures of silicene on hexagonal boron nitride: A first-principles study

2013 ◽  
Vol 377 (38) ◽  
pp. 2628-2632 ◽  
Author(s):  
Linyang Li ◽  
Xiaopeng Wang ◽  
Xiaoyang Zhao ◽  
Mingwen Zhao
Keyword(s):  
Boron Nitride ◽  
First Principles ◽  
Hexagonal Boron Nitride ◽  
First Principles Study

First-principles study of coronene adsorption on hexagonal boron nitride substrate

2017 ◽  
Vol 664 ◽  
pp. 56-60 ◽  
Author(s):  
Yasutaka Nishida ◽  
Takashi Yoshida ◽  
Ryota Ifuku ◽  
Tadashi Sakai
Keyword(s):  
Boron Nitride ◽  
First Principles ◽  
Hexagonal Boron Nitride ◽  
First Principles Study

Dioxin sensing properties of graphene and hexagonal boron nitride based van der Waals solids: a first-principles study

RSC Advances ◽  
2016 ◽  
Vol 6 (108) ◽  
pp. 107114-107126 ◽  
Author(s):  
M. Kamaraj ◽  
J. Vijaya Sundar ◽  
V. Subramanian
Keyword(s):  
Boron Nitride ◽  
Dft Calculations ◽  
Electronic Properties ◽  
First Principles ◽  
Hexagonal Boron Nitride ◽  
Van Der Waals ◽  
Two Dimensional ◽  
Sensing Properties ◽  
First Principles Study

The changes in the electronic properties of single and bilayers of graphene and hexagonal boron nitride two dimensional sheets have been investigated upon interaction with 2,3,7,8-tetrachlorodibenzo-p-dioxin by employing the DFT calculations.

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