Intrinsic property and catalytic performance of single and double metal atoms incorporated g-C3N4 for O2 activation: A DFT insight

Revealing the effect of N-content in Fe doped graphene on its catalytic performance for direct oxidation of methane to methanol

(2020) Thantip Roongcharoen et al.   APPLIED SURFACE SCIENCE

Themolysis of noble metal nanoparticle into electron-rich phosphorus-coordinated noble metal single atoms at low temperature

(2019) Shaojun Guo et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Effects of reduction temperature and content of Pd loading on the performance Pd/CeO2 catalyst for CO oxidation

(2019) Yue Yan et al.   CHINESE CHEMICAL LETTERS

DFT-based study of single transition metal atom doped g-C3N4 as alternative oxygen reduction reaction catalysts

(2019) Xin Chen et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Computational Evaluation of Electrocatalytic Nitrogen Reduction on TM Single-, Double-, and Triple-Atom Catalysts (TM = Mn, Fe, Co, Ni) Based on Graphdiyne Monolayers

(2019) Dongwei Ma et al.   Journal of Physical Chemistry C

Porous nitrogen-rich g-C3N4 nanotubes for efficient photocatalytic CO2 reduction

(2019) Zhao Mo et al.   APPLIED CATALYSIS B-ENVIRONMENTAL

Development of Pdn/g-C3N4 adsorbent for Hg0 removal – DFT study of influences of the support and Pd cluster size

(2019) Shuai Liu et al.   FUEL

A sulfur-tethering synthesis strategy toward high-loading atomically dispersed noble metal catalysts

(2019) Lei Wang et al.   Science Advances

C2N-graphene supported single-atom catalysts for CO2 electrochemical reduction reaction: mechanistic insight and catalyst screening

(2018) Xudong Cui et al.   Nanoscale

Support effects on adsorption and catalytic activation of O2 in single atom iron catalysts with graphene-based substrates

(2018) Zheng-yang Gao et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Carbon nitride supported Fe2 cluster catalysts with superior performance for alkene epoxidation

(2018) Shubo Tian et al.   Nature Communications

Room-Temperature Methane Conversion by Graphene-Confined Single Iron Atoms

(2018) Xiaoju Cui et al.   Chem

Molecular Scaffolding Strategy with Synergistic Active Centers To Facilitate Electrocatalytic CO2 Reduction to Hydrocarbon/Alcohol

(2017) Yan Jiao et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Molecule-Level g-C3N4 Coordinated Transition Metals as a New Class of Electrocatalysts for Oxygen Electrode Reactions

(2017) Yao Zheng et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Electrochemical reduction of CO2 on graphene supported transition metals – towards single atom catalysts

(2017) Haiying He et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Control synthesis of CeO 2 nanomaterials supported gold for catalytic oxidation of carbon monoxide

(2017) Rongbin Zhang et al.   Molecular Catalysis

Graphitic carbon nitride supported single-atom catalysts for efficient oxygen evolution reaction

(2016) Xiyu Li et al.   CHEMICAL COMMUNICATIONS

Design of Efficient Catalysts with Double Transition Metal Atoms on C2N Layer

(2016) Xiyu Li et al.   Journal of Physical Chemistry Letters

Single Atom (Pd/Pt) Supported on Graphitic Carbon Nitride as an Efficient Photocatalyst for Visible-Light Reduction of Carbon Dioxide

(2016) Guoping Gao et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

A Stable Single-Site Palladium Catalyst for Hydrogenations

(2015) Gianvito Vilé et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Atomic Bonding between Metal and Graphene

(2013) Hongtao Wang et al.   Journal of Physical Chemistry C

Remarkable Performance of Ir1/FeOx Single-Atom Catalyst in Water Gas Shift Reaction

(2013) Jian Lin et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Graphene-Like Carbon Nitride Nanosheets for Improved Photocatalytic Activities

(2012) Ping Niu et al.   ADVANCED FUNCTIONAL MATERIALS

CO oxidation over graphene supported palladium catalyst

(2012) Yingzhi Li et al.   APPLIED CATALYSIS B-ENVIRONMENTAL

Exploration of the active center structure of nitrogen-doped graphene-based catalysts for oxygen reduction reaction

(2012) Linfei Lai et al.   Energy & Environmental Science

Adsorption and Catalytic Activation of O2 Molecule on the Surface of Au-Doped Graphene under an External Electric Field

(2012) Teng Zhang et al.   Journal of Physical Chemistry C

VESTA 3for three-dimensional visualization of crystal, volumetric and morphology data

(2011) Koichi Momma et al.   JOURNAL OF APPLIED CRYSTALLOGRAPHY

Single-atom catalysis of CO oxidation using Pt1/FeO x

(2011) Botao Qiao et al.   Nature Chemistry

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

(2010) Stefan Grimme et al.   JOURNAL OF CHEMICAL PHYSICS

Towards the computational design of solid catalysts

(2009) J. K. Nørskov et al.   Nature Chemistry

Embedding Transition-Metal Atoms in Graphene: Structure, Bonding, and Magnetism

(2009) A. V. Krasheninnikov et al.   PHYSICAL REVIEW LETTERS

Superlinearly converging dimer method for transition state search

(2008) Johannes Kästner et al.   JOURNAL OF CHEMICAL PHYSICS