Prediction of stable BC3N2 monolayer from first-principles calculations: Stoichiometry, crystal structure, electronic and adsorption properties

Construction of Cr-embedded graphyne electrocatalyst for highly selective reduction of CO2 to CH4: A DFT study

(2021) Ling Fu et al.   CHEMICAL ENGINEERING JOURNAL

Single atom catalytic oxidation mechanism of formaldehyde on Al doped graphene at room temperature

(2020) Guanlan Liu et al.   CHINESE CHEMICAL LETTERS

Charge-regulated CO2 capture capacity of metal atom embedded graphyne: A first-principles study

(2020) Chaozheng He et al.   APPLIED SURFACE SCIENCE

Computational Prediction of Boron-Based MAX Phases and MXene Derivatives

(2020) Nanxi Miao et al.   CHEMISTRY OF MATERIALS

Two-dimensional TiO2 (001) nanosheets as an effective photo-assisted recyclable sensor for the electrochemical detection of bisphenol A

(2020) Sujuan Hu et al.   CHINESE CHEMICAL LETTERS

Newly Found Photoactivated Pt Anchored on Three-Dimensional Layered WS2/Carbon Cloth for Highly Efficient Ethylene Glycol Electro-Oxidation

(2020) Xuandong Wang et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Mo-doped boron nitride monolayer as a promising single-atom electrocatalyst for CO2 conversion

(2019) Qianyi Cui et al.   Beilstein Journal of Nanotechnology

Two-Dimensional Anti-Van’t Hoff/Le Bel Array AlB6 with High Stability, Unique Motif, Triple Dirac Cones, and Superconductivity

(2019) Bingyi Song et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

The effect of metal loading over Ni/γ-Al2O3 and Mo/γ-Al2O3 catalysts on reaction routes of hydrodeoxygenation of rubber seed oil for green diesel production

(2019) Mariam Ameen et al.   CATALYSIS TODAY

New Family of Two-Dimensional Group-(II3–V2) Photoelectric Materials

(2019) Wangping Xu et al.   Journal of Physical Chemistry C

Outstanding strength, optical characteristics and thermal conductivity of graphene-like BC3 and BC6N semiconductors

(2019) Bohayra Mortazavi et al.   CARBON

Functional groups to modify g-C3N4 for improved photocatalytic activity of hydrogen evolution from water splitting

(2019) Fan Yu et al.   CHINESE CHEMICAL LETTERS

2020 roadmap on two-dimensional materials for energy storage and conversion

(2019) Baolin Xu et al.   CHINESE CHEMICAL LETTERS

2D/1D graphitic carbon nitride/titanate nanotubes heterostructure for efficient photocatalysis of sulfamethazine under solar light: Catalytic “hot spots” at the rutile–anatase–titanate interfaces

(2019) Haodong Ji et al.   APPLIED CATALYSIS B-ENVIRONMENTAL

Graphene-like BC6N single-layer: Tunable electronic and magnetic properties via thickness, gating, topological defects, and adatom/molecule

(2019) A. Bafekry   PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES

Selective Hydrogenation of CO2 to Ethanol over Cobalt Catalysts

(2018) Lingxiang Wang et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

DFT study of adsorption behavior of NO, CO, NO 2 , and NH 3 molecules on graphene-like BC 3 : A search for highly sensitive molecular sensor

(2018) Sadegh Mehdi Aghaei et al.   APPLIED SURFACE SCIENCE

The catalytic performance of Mo-impregnated HZSM-5 zeolite in CH 4 aromatization: Strong influence of Mo loading and pretreatment conditions

(2018) Pinglian Tan   CATALYSIS COMMUNICATIONS

Rapid development in two-dimensional layered perovskite materials and their application in solar cells

(2018) Sajjad Ahmad et al.   CHINESE CHEMICAL LETTERS

Transition metal anchored C2N monolayers as efficient bifunctional electrocatalysts for hydrogen and oxygen evolution reactions

(2018) Xu Zhang et al.   Journal of Materials Chemistry A

Two-Dimensional Titania: Structures and Properties Predicted by First Principle Calculation

(2018) Liang Wang et al.   Journal of Physical Chemistry C

Effect of Mo loading on 2-naphthaldehyde formation from vapor phase oxidation of 2-methylnaphthalene with V2O5/TiO2 catalysts

(2018) Xiaoqiang Gao et al.   CATALYSIS COMMUNICATIONS

Non-oxidative dehydroaromatization of methane over Mo/H-ZSM-5 catalysts: A detailed analysis of the reaction-regeneration cycle

(2018) Seung Ju Han et al.   APPLIED CATALYSIS B-ENVIRONMENTAL

Importance of Ag–Cu Biphasic Boundaries for Selective Electrochemical Reduction of CO2 to Ethanol

(2017) Seunghwa Lee et al.   ACS Catalysis

Selective catalytic reduction of NO with NH3 over Mo–Fe/beta catalysts: the effect of Mo loading amounts

(2017) Jianlin Deng et al.   RSC Advances

LOBSTER: A tool to extract chemical bonding from plane-wave based DFT

(2016) Stefan Maintz et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Enhanced electrocatalytic CO2 reduction via field-induced reagent concentration

(2016) Min Liu et al.   NATURE

Two-dimensional polyaniline (C3N) from carbonized organic single crystals in solid state

(2016) Javeed Mahmood et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Nanostructured transition metal dichalcogenide electrocatalysts for CO 2 reduction in ionic liquid

(2016) Mohammad Asadi et al.   SCIENCE

Hexagonal BC3: A Robust Electrode Material for Li, Na, and K Ion Batteries

(2015) Rajendra P. Joshi et al.   Journal of Physical Chemistry Letters

Improving the adsorption behavior and reaction activity of Co-anchored graphene surface toward CO and O2 molecules

(2015) Yanan Tang et al.   SENSORS AND ACTUATORS B-CHEMICAL

Nitrogenated holey two-dimensional structures

(2015) Javeed Mahmood et al.   Nature Communications

Synthesis, properties and applications of graphene doped with boron, nitrogen and other elements

(2014) C.N.R. Rao et al.   Nano Today

Electric field induced hydrogenation of silicene

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

Necessary and sufficient elastic stability conditions in various crystal systems

(2014) Félix Mouhat et al.   PHYSICAL REVIEW B

Density functional theory calculations on the CO catalytic oxidation on Al-embedded graphene

(2014) Q. G. Jiang et al.   RSC Advances

Thermal Conductivity and Phonon Transport in Suspended Few-Layer Hexagonal Boron Nitride

(2013) Insun Jo et al.   NANO LETTERS

Mechanical stabilities of silicene

(2013) Qing Peng et al.   RSC Advances

CALYPSO: A method for crystal structure prediction

(2012) Yanchao Wang et al.   COMPUTER PHYSICS COMMUNICATIONS

Mechanical properties of graphene and boronitrene

(2012) R. C. Andrew et al.   PHYSICAL REVIEW B

Crystal Orbital Hamilton Population (COHP) Analysis As Projected from Plane-Wave Basis Sets

(2011) Volker L. Deringer et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Functionalization, Dispersion, and Cutting of Boron Nitride Nanotubes in Water

(2011) Chee Huei Lee et al.   Journal of Physical Chemistry C

First-principles studies of structural and electronic properties of layered C3N phases

(2011) Qianku Hu et al.   PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS

A Graphene Nanoprobe for Rapid, Sensitive, and Multicolor Fluorescent DNA Analysis

(2010) Shijiang He et al.   ADVANCED FUNCTIONAL MATERIALS

Enhancement of adsorption on a boron-doped carbon system for hydrogen storage

(2010) Hoonkyung Lee   SOLID STATE COMMUNICATIONS

Synthesis and characterization of cubic BC2N grown by reactive laser ablation

(2010) H.A. Castillo et al.   SURFACE & COATINGS TECHNOLOGY

Growth and characterization of stoichiometric BCN films on highly oriented pyrolytic graphite by radiofrequency plasma enhanced chemical vapor deposition

(2009) Md. Abdul Mannan et al.   THIN SOLID FILMS

Superior Thermal Conductivity of Single-Layer Graphene

(2008) Alexander A. Balandin et al.   NANO LETTERS

First-principles calculations of the ferroelastic transition between rutile-type andCaCl2-typeSiO2at high pressures

(2008) Atsushi Togo et al.   PHYSICAL REVIEW B

Transparent, Conductive Graphene Electrodes for Dye-Sensitized Solar Cells

(2007) Xuan Wang et al.   NANO LETTERS