Activation of CO and CO2 on homonuclear boron bonds of fullerene-like BN cages: first principles study

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

(2015) Sen Lin et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Potential of C-doped boron nitride fullerene as a catalyst for methanol dehydrogenation

(2014) Mehdi D. Esrafili et al.   COMPUTATIONAL MATERIALS SCIENCE

Polycrystalline graphene and other two-dimensional materials

(2014) Oleg V. Yazyev et al.   Nature Nanotechnology

Graphdiyne as a metal-free catalyst for low-temperature CO oxidation

(2014) Ping Wu et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

A density functional theory study on the adsorption and decomposition of methanol on B12N12 fullerene-like nanocage

(2014) Mehdi D. Esrafili et al.   SUPERLATTICES AND MICROSTRUCTURES

Ab Initio Study of Thin Oxide–Metal Overlayers as an Inverse Catalytic System for Dioxygen Reduction and Enhanced CO Tolerance

(2014) Dongbin Shin et al.   ACS Catalysis

CO Oxidation on the Pd(111) Surface

(2014) Zhiyao Duan et al.   ACS Catalysis

Neutral and charged boron-doped fullerenes for CO2adsorption

(2014) Suchitra W de Silva et al.   Beilstein Journal of Nanotechnology

Curvature effect of SiC nanotubes and sheets for CO2 capture and reduction

(2014) P. Zhang et al.   RSC Advances

Doped h-BN monolayer as efficient noble metal-free catalysts for CO oxidation: the role of dopant and water in activity and catalytic de-poisoning

(2014) S. Sinthika et al.   Journal of Materials Chemistry A

“Metal-Free” Catalytic Oxygen Reduction Reaction on Heteroatom-Doped Graphene is Caused by Trace Metal Impurities

(2013) Lu Wang et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Nitrogen-Doped sp2-Hybridized Carbon as a Superior Catalyst for Selective Oxidation

(2013) Yongjun Gao et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Can CO2 molecule adsorb effectively on Al-doped boron nitride single walled nanotube?

(2013) Peng Shao et al.   APPLIED SURFACE SCIENCE

Non-covalent surface modification of boron nitride nanotubes for enhanced catalysis

(2013) Runqing Li et al.   CHEMICAL COMMUNICATIONS

Charge-Controlled Switchable CO2 Capture on Boron Nitride Nanomaterials

(2013) Qiao Sun et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Atomic Resolution Imaging of Grain Boundary Defects in Monolayer Chemical Vapor Deposition-Grown Hexagonal Boron Nitride

(2013) Ashley L. Gibb et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

A comparative theoretical study of CO2 sensing using inorganic AlN, BN and SiC single walled nanotubes

(2013) Zabiollah Mahdavifar et al.   SENSORS AND ACTUATORS B-CHEMICAL

Band-Gap Engineering via Tailored Line Defects in Boron-Nitride Nanoribbons, Sheets, and Nanotubes

(2012) Xiuling Li et al.   ACS Nano

Carbon dioxide detection by boron nitride nanotubes

(2012) Hamze Mousavi et al.   APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING

CO oxidation on metal-free nitrogen-doped carbon nanotubes and the related structure–reactivity relationships

(2012) Xingbang Hu et al.   JOURNAL OF MATERIALS CHEMISTRY

Comparing van der Waals Density Functionals for CO2 Adsorption in Metal Organic Frameworks

(2012) Malay Kumar Rana et al.   Journal of Physical Chemistry C

Si-embedded graphene: an efficient and metal-free catalyst for CO oxidation by N2O or O2

(2012) Jing-xiang Zhao et al.   THEORETICAL CHEMISTRY ACCOUNTS

Doping of Calcium in C60Fullerene for Enhancing CO2Capture and N2O Transformation: A Theoretical Study

(2011) Bo Gao et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Density Functional Theory Study of O2 and NO Adsorption on Heteroatom-Doped Graphenes Including the van der Waals Interaction

(2011) Anup Pramanik et al.   Journal of Physical Chemistry C

Calcium-Based Functionalization of Carbon Materials for CO2 Capture: A First-Principles Computational Study

(2011) C. Cazorla et al.   Journal of Physical Chemistry C

CO Catalytic Oxidation on Copper-Embedded Graphene

(2011) E. H. Song et al.   Journal of Physical Chemistry C

Nitrogen-Doped Graphene as Efficient Metal-Free Electrocatalyst for Oxygen Reduction in Fuel Cells

(2010) Liangti Qu et al.   ACS Nano

Theoretical investigation on the alkali-metal doped BN fullerene as a material for hydrogen storage

(2010) Natarajan Sathiyamoorthy Venkataramanan et al.   CHEMICAL PHYSICS

Electrocatalytic activity of nitrogen doped carbon nanotubes with different morphologies for oxygen reduction reaction

(2010) Zhu Chen et al.   ELECTROCHIMICA ACTA

CO Catalytic Oxidation on Iron-Embedded Graphene: Computational Quest for Low-Cost Nanocatalysts

(2010) Yafei Li et al.   Journal of Physical Chemistry C

CO Oxidation by BN−Fullerene Cage: Effect of Impurity on the Chemical Reactivity

(2008) Sandeep Nigam et al.   ACS Nano

Comparative Study of CO2Capture by Carbon Nanotubes, Activated Carbons, and Zeolites

(2008) Chungsying Lu et al.   ENERGY & FUELS

Stone−Wales Defects in Single-Walled Boron Nitride Nanotubes:  Formation Energies, Electronic Structures, and Reactivity

(2008) Yafei Li et al.   Journal of Physical Chemistry C

Adsorption of Gas Molecules on Graphene Nanoribbons and Its Implication for Nanoscale Molecule Sensor

(2008) Bing Huang et al.   Journal of Physical Chemistry C

On the Mechanism of Low-Temperature Water Gas Shift Reaction on Copper

(2008) Amit A. Gokhale et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY