Catalytic Mechanism of CO Oxidation on Three‐Silicon‐Doped Hexagonal Boron Nitride

ChemNanoMat ◽  
2019 ◽  
Vol 5 (9) ◽  
pp. 1202-1208
Author(s):  
Chaoqun Ma ◽  
Bingping Liu ◽  
Hai Wang ◽  
Shihai Yan
Keyword(s):  
Boron Nitride ◽  
Co Oxidation ◽  
Catalytic Mechanism ◽  
Hexagonal Boron Nitride ◽  
Silicon Doped

Can metal-free silicon-doped hexagonal boron nitride nanosheets and nanotubes exhibit activity toward CO oxidation?

2015 ◽  
Vol 17 (2) ◽  
pp. 888-895 ◽  
Author(s):  
Sen Lin ◽  
Xinxin Ye ◽  
Jing Huang
Keyword(s):  
Boron Nitride ◽  
Co Oxidation ◽  
Hexagonal Boron Nitride ◽  
First Principle ◽  
Metal Free ◽  
Boron Nitride Nanosheets ◽  
Free Silicon ◽  
Si Doped ◽  
Silicon Doped

Si-doped hexagonal boron nitride nanosheets and nanotubes have been investigated by first-principle methods.

Interfacial-Bonding-Regulated CO Oxidation over Pt Atoms Immobilized on Gas-Exfoliated Hexagonal Boron Nitride

2017 ◽  
Vol 2 (29) ◽  
pp. 9412-9419 ◽  
Author(s):  
Xin Liu ◽  
Hongdan Zhu ◽  
Roberto Linguerri ◽  
Yu Han ◽  
Gilberte Chambaud ◽  
...  
Keyword(s):  
Boron Nitride ◽  
Co Oxidation ◽  
Hexagonal Boron Nitride ◽  
Interfacial Bonding

Copper atoms embedded in hexagonal boron nitride as potential catalysts for CO oxidation: a first-principles investigation

RSC Advances ◽  
2014 ◽  
Vol 4 (73) ◽  
pp. 38750-38760 ◽  
Author(s):  
Xin Liu ◽  
Ting Duan ◽  
Yanhui Sui ◽  
Changgong Meng ◽  
Yu Han
Keyword(s):  
Charge Transfer ◽  
Boron Nitride ◽  
Co Oxidation ◽  
First Principles ◽  
Hexagonal Boron Nitride

The embedment in h-BN makes Cu states compatible to reactant states and facilitates the charge transfer for reaction to proceed.

Pt atoms stabilized on hexagonal boron nitride as efficient single-atom catalysts for CO oxidation: a first-principles investigation

RSC Advances ◽  
2015 ◽  
Vol 5 (14) ◽  
pp. 10452-10459 ◽  
Author(s):  
Xin Liu ◽  
Ting Duan ◽  
Changgong Meng ◽  
Yu Han
Keyword(s):  
Electronic Structure ◽  
Boron Nitride ◽  
Co Oxidation ◽  
First Principles ◽  
Hexagonal Boron Nitride ◽  
Single Atom ◽  
Vacancy Defects

Taking CO oxidation as a probe, we investigated the electronic structure and reactivity of Pt atoms stabilized by vacancy defects on hexagonal boron nitride (h-BN) by first-principles-based calculations.

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