Single Si atom supported on defective boron nitride nanosheet as a promising metal-free catalyst for N2 O reduction by CO or SO2 molecule: A computational study

NO reduction by CO molecule over Si-doped boron nitride nanosheet: A dispersion-corrected DFT study

(2018) Mehdi D. Esrafili   CHEMICAL PHYSICS LETTERS

N 2 O reduction over a fullerene-like boron nitride nanocage: A DFT study

(2017) Mehdi D. Esrafili   PHYSICS LETTERS A

High-Yield Production of Boron Nitride Nanosheets and Its Uses as a Catalyst Support for Hydrogenation of Nitroaromatics

(2016) Wenliang Sun et al.   ACS Applied Materials & Interfaces

Al- or Si-decorated graphene oxide: A favorable metal-free catalyst for the N 2 O reduction

(2016) Mehdi D. Esrafili et al.   APPLIED SURFACE SCIENCE

Si-doped graphene: A promising metal-free catalyst for oxidation of SO 2

(2016) Mehdi D. Esrafili et al.   CHEMICAL PHYSICS LETTERS

Adsorption and oxidation of SO2 by graphene oxides: A van der Waals density functional theory study

(2015) Huijuan Zhang et al.   APPLIED SURFACE SCIENCE

N 2 O + CO reaction over Si- and Se-doped graphenes: An ab initio DFT study

(2015) Reza Gholizadeh et al.   APPLIED SURFACE SCIENCE

Density functional theory study of SO 2 -adsorbed Ni(1 1 1) and hydroxylated NiO(1 1 1) surface

(2015) Xin Wei et al.   APPLIED SURFACE SCIENCE

Sensing behavior of BN nanosheet toward nitrous oxide: A DFT study

(2015) Marjaneh Samadizadeh et al.   CHINESE CHEMICAL LETTERS

Carbon-Doped Boron Nitride Nanosheet: An Efficient Metal-Free Electrocatalyst for the Oxygen Reduction Reaction

(2015) Jingxiang Zhao et al.   Journal of Physical Chemistry C

Iron-embedded boron nitride nanosheet as a promising electrocatalyst for the oxygen reduction reaction (ORR): A density functional theory (DFT) study

(2015) Li-yan Feng et al.   JOURNAL OF POWER SOURCES

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

Carbon-doped BN nanosheets for metal-free photoredox catalysis

(2015) Caijin Huang et al.   Nature Communications

Oxidation of SO2 and NO by epoxy groups on graphene oxides: the role of the hydroxyl group

(2015) Wanglai Cen et al.   RSC Advances

Strong Oxidation Resistance of Atomically Thin Boron Nitride Nanosheets

(2014) Lu Hua Li et al.   ACS Nano

Boron Nitride Nanosheet on Gold as an Electrocatalyst for Oxygen Reduction Reaction: Theoretical Suggestion and Experimental Proof

(2014) Kohei Uosaki et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

N2O reduction over hexagonal BN nanosheet: effects of Stone–Wales defect and carbon pair doping

(2014) Morteza Moradi   STRUCTURAL CHEMISTRY

Modeling and simulation of the combined removal of SO2and CO2by aqueous ammonia

(2014) Muhammad Asif et al.   Greenhouse Gases-Science and Technology

Oxygen-doped boron nitride nanosheets with excellent performance in hydrogen storage

(2014) Weiwei Lei et al.   Nano Energy

First-Principles Investigations of Metal (Cu, Ag, Au, Pt, Rh, Pd, Fe, Co, and Ir) Doped Hexagonal Boron Nitride Nanosheets: Stability and Catalysis of CO Oxidation

(2013) Sen Lin et al.   Journal of Physical Chemistry C

Functionalization of BN nanosheet with N2H4 may be feasible in the presence of Stone–Wales defect

(2013) Javad Beheshtian et al.   STRUCTURAL CHEMISTRY

Al-doped graphene-like BN nanosheet as a sensor for para-nitrophenol: DFT study

(2013) Ali Ahmadi Peyghan et al.   SUPERLATTICES AND MICROSTRUCTURES

A computational investigation of CO oxidation on ruthenium-embedded hexagonal boron nitride nanosheet

(2013) Caijin Huang et al.   Computational and Theoretical Chemistry

Catalyst-free achieving of controllable carbon doping of boron nitride nanosheets by CO molecules: a theoretical prediction

(2013) Jing-xiang Zhao et al.   RSC Advances

Formaldehyde adsorption on pristine, Al-doped and mono-vacancy defected boron nitride nanosheets: A first principles study

(2012) Siamak Noorizadeh et al.   COMPUTATIONAL MATERIALS SCIENCE

Performance of the M11-L density functional for bandgaps and lattice constants of unary and binary semiconductors

(2012) Roberto Peverati et al.   JOURNAL OF CHEMICAL PHYSICS

Bimetallic Au–Pd Alloy Catalysts for N2O Decomposition: Effects of Surface Structures on Catalytic Activity

(2012) Xing Wei et al.   Journal of Physical Chemistry C

Reaction Mechanisms for CO Catalytic Oxidation by N2O on Fe-Embedded Graphene

(2012) Sippakorn Wannakao et al.   Journal of Physical Chemistry C

Large-Scale Synthesis of High-Quality Hexagonal Boron Nitride Nanosheets for Large-Area Graphene Electronics

(2012) Kang Hyuck Lee et al.   NANO LETTERS

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

Boron nitride nanosheets: large-scale exfoliation in methanesulfonic acid and their composites with polybenzimidazole

(2011) Yan Wang et al.   JOURNAL OF MATERIALS CHEMISTRY

A Computational Study of the Oxidation of SO2to SO3by Gas-Phase Organic Oxidants

(2011) Theo Kurtén et al.   JOURNAL OF PHYSICAL CHEMISTRY A

M11-L: A Local Density Functional That Provides Improved Accuracy for Electronic Structure Calculations in Chemistry and Physics

(2011) Roberto Peverati et al.   Journal of Physical Chemistry Letters

Enhanced role of Al or Ga-doped graphene on the adsorption and dissociation of N2O under electric field

(2011) Yong-an Lv et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Boron Nitride Nanotubes and Nanosheets

(2010) Dmitri Golberg et al.   ACS Nano

Prioritizing research for trace pollutants and emerging contaminants in the freshwater environment

(2010) Kyle E. Murray et al.   ENVIRONMENTAL POLLUTION

DFT Calculations of Adsorption and Decomposition of N2O on Rh(100)

(2010) Hideo Orita et al.   Journal of Physical Chemistry C

Mechanism of N2O Formation During NO Reduction on the Au(111) Surface

(2010) Yingying Wang et al.   Journal of Physical Chemistry C

Defect Functionalization of Hexagonal Boron Nitride Nanosheets

(2010) Yi Lin et al.   Journal of Physical Chemistry C

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

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

Infrared Induced Reactivity on the Surface of Isolated Size-Selected Clusters: Dissociation of N2O on Rhodium Clusters

(2010) Suzanne M. Hamilton et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Large Scale Growth and Characterization of Atomic Hexagonal Boron Nitride Layers

(2010) Li Song et al.   NANO LETTERS

A DFT Study of CO Catalytic Oxidation by N2O or O2on the Co3O4(110) Surface

(2009) Xiang-Lan Xu et al.   ChemCatChem

Metal-Embedded Graphene: A Possible Catalyst with High Activity

(2009) Yun-Hao Lu et al.   Journal of Physical Chemistry C

Nitrous Oxide (N2O): The Dominant Ozone-Depleting Substance Emitted in the 21st Century

(2009) A. R. Ravishankara et al.   SCIENCE

Oxidation of CO and H2 by O2 and N2O on Au/TiO2 catalysts in microreactors

(2008) G. Walther et al.   JOURNAL OF CATALYSIS