Can Si-embedded boron nitride nanotubes act as a favorable metal-free catalyst for CO oxidation by N2O?

RSC Advances ◽  
2015 ◽  
Vol 5 (121) ◽  
pp. 100290-100298 ◽  
Author(s):  
Mehdi D. Esrafili ◽  
Nasibeh Saeidi ◽  
Parisa Nematollahi
Keyword(s):  
Boron Nitride ◽  
Co Oxidation ◽  
Boron Nitride Nanotubes ◽  
Metal Free ◽  
Si Doped

N2O adsorption over Si-doped BNNT.

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.

Ab Initio Study of TEPA Adsorption on Pristine, Al and Si Doped Carbon and Boron Nitride Nanotubes

2020 ◽  
Vol 30 (11) ◽  
pp. 4297-4310
Author(s):  
Mir Saleh Hoseininezhad-Namin ◽  
Parinaz Pargolghasemi ◽  
Maryam Saadi ◽  
Mohammad Ramezani Taghartapeh ◽  
Nafiseh Abdolahi ◽  
...  
Keyword(s):  
Boron Nitride ◽  
Ab Initio ◽  
Boron Nitride Nanotubes ◽  
Ab Initio Study ◽  
Si Doped

Theoretical study on the Si-doped graphene as an efficient metal-free catalyst for CO oxidation

2014 ◽  
Vol 308 ◽  
pp. 402-407 ◽  
Author(s):  
Yanan Tang ◽  
Zhiyong Liu ◽  
Xianqi Dai ◽  
Zongxian Yang ◽  
Weiguang Chen ◽  
...  
Keyword(s):  
Co Oxidation ◽  
Theoretical Study ◽  
Metal Free ◽  
Doped Graphene ◽  
Si Doped

Theoretical Study of the Adsorption of Carbon Monoxide on Pristine and Silicon-Doped Boron Nitride Nanotubes

2008 ◽  
Vol 61 (12) ◽  
pp. 941 ◽  
Author(s):  
Ruoxi Wang ◽  
Dongju Zhang
Keyword(s):  
Boron Nitride ◽  
Density Functional ◽  
Chemical Interaction ◽  
Density Functional Theory Calculations ◽  
Boron Nitride Nanotubes ◽  
The Novel ◽  
Geometrical Structures ◽  
Si Doped ◽  
Silicon Doped ◽  
Novel Applications

In order to explore the novel application of boron nitride nanotubes (BNNTs), we investigate reactivities of pristine and silicon-doped (Si-doped) (8,0) single-walled BNNTs towards the CO molecule by performing density functional theory calculations. Compared with weak physisorption on the pristine BNNT, the CO molecule presents strong chemical interaction with the Si-doped BNNT, as indicated by the calculated geometrical structures and electronic properties for these systems. It is suggested that doping BNNTs with silicon is expected to be a suitable strategy for adjusting the properties of BNNTs, and that Si-doped BNNTs are expected to find novel applications in nanotechnology.

Confinement boosts CO oxidation on an Ni atom embedded inside boron nitride nanotubes

2018 ◽  
Vol 20 (26) ◽  
pp. 17599-17605 ◽  
Author(s):  
Yadong Zhang ◽  
Yuzhen Liu ◽  
Zhaoshun Meng ◽  
Cai Ning ◽  
Chuanyun Xiao ◽  
...  
Keyword(s):  
Catalytic Activity ◽  
Boron Nitride ◽  
Co Oxidation ◽  
Boron Nitride Nanotubes ◽  
Confinement Effect ◽  
Interior Surface

Because of the confinement effect, Ni embedded on the interior surface of BNNT exhibits a much higher catalytic activity for CO oxidation by comparing with that embedded in h-BN or on the outside surface of BNNT.

Sign in / Sign up

Export Citation Format

Share Document