Potential of transition metal atoms embedded in buckled monolayer g-C3N4 as single-atom catalysts

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

Enhancing both selectivity and coking-resistance of a single-atom Pd1/C3N4 catalyst for acetylene hydrogenation

(2017) Xiaohui Huang et al.   Nano Research

Merging Single-Atom-Dispersed Silver and Carbon Nitride to a Joint Electronic System via Copolymerization with Silver Tricyanomethanide

(2016) Zupeng Chen et al.   ACS Nano

Implementing Metal-to-Ligand Charge Transfer in Organic Semiconductor for Improved Visible-Near-Infrared Photocatalysis

(2016) Yanrui Li et al.   ADVANCED MATERIALS

Single-Atom Pt as Co-Catalyst for Enhanced Photocatalytic H2 Evolution

(2016) Xiaogang Li et al.   ADVANCED MATERIALS

3 d transition metal embedded C 2 N monolayers as promising single-atom catalysts: A first-principles study

(2016) D.W. Ma et al.   CARBON

Ni-based bimetallic heterogeneous catalysts for energy and environmental applications

(2016) Sudipta De et al.   Energy & Environmental Science

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

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

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

Catalysis by Supported Single Metal Atoms

(2016) Jingyue Liu   ACS Catalysis

A Stable Single-Site Palladium Catalyst for Hydrogenations

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

Efficient amorphous platinum catalyst cluster growth on porous carbon: A combined molecular dynamics and experimental study

(2015) Lu Xie et al.   APPLIED CATALYSIS B-ENVIRONMENTAL

Transition metal adatoms on graphene: A systematic density functional study

(2015) Montserrat Manadé et al.   CARBON

Single-Atom Pd1/Graphene Catalyst Achieved by Atomic Layer Deposition: Remarkable Performance in Selective Hydrogenation of 1,3-Butadiene

(2015) Huan Yan et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Carbon Dioxide Conversion to Methanol over Size-Selected Cu4 Clusters at Low Pressures

(2015) Cong Liu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Tens of thousands of atoms replaced by one

(2015) John Meurig Thomas   NATURE

Catalysis by clusters with precise numbers of atoms

(2015) Eric C. Tyo et al.   Nature Nanotechnology

Exceptional activity of sub-nm Pt clusters on CdS for photocatalytic hydrogen production: a combined experimental and first-principles study

(2015) Qiyuan Wu et al.   Catalysis Science & Technology

FeOx-supported platinum single-atom and pseudo-single-atom catalysts for chemoselective hydrogenation of functionalized nitroarenes

(2014) Haisheng Wei et al.   Nature Communications

Low-temperature carbon monoxide oxidation catalysed by regenerable atomically dispersed palladium on alumina

(2014) Eric J. Peterson et al.   Nature Communications

Computational studies on magnetism and the optical properties of transition metal embedded graphitic carbon nitride sheets

(2014) Dibyajyoti Ghosh et al.   Journal of Materials Chemistry C

Prediction of magnetic anisotropy of 5d transition metal-doped g-C3N4

(2014) Yun Zhang et al.   Journal of Materials Chemistry C

Gold Atoms Stabilized on Various Supports Catalyze the Water–Gas Shift Reaction

(2013) Maria Flytzani-Stephanopoulos   ACCOUNTS OF CHEMICAL RESEARCH

Single-Atom Catalysts: A New Frontier in Heterogeneous Catalysis

(2013) Xiao-Feng Yang et al.   ACCOUNTS OF CHEMICAL RESEARCH

Establishing the Accuracy of Broadly Used Density Functionals in Describing Bulk Properties of Transition Metals

(2013) Patanachai Janthon et al.   Journal of Chemical Theory and Computation

Analytic projection from plane-wave and PAW wavefunctions and application to chemical-bonding analysis in solids

(2013) Stefan Maintz et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Graphene Supported Co-g-C3N4 as a Novel Metal–Macrocyclic Electrocatalyst for the Oxygen Reduction Reaction in Fuel Cells

(2013) Qiao Liu et al.   LANGMUIR

Room-Temperature Reactions for Self-Cleaning Molecular Nanosensors

(2013) Keith H. Warnick et al.   NANO LETTERS

Single Layer of Polymeric Cobalt Phthalocyanine: Promising Low-Cost and High-Activity Nanocatalysts for CO Oxidation

(2013) Qingming Deng et al.   Small

Catalysis and In Situ Studies of Rh1/Co3O4 Nanorods in Reduction of NO with H2

(2013) Lei Wang et al.   ACS Catalysis

Oxygen adsorption and dissociation during the oxidation of monolayer Ti2C

(2013) Li-Yong Gan et al.   Journal of Materials Chemistry A

Catalytically Active Single-Atom Sites Fabricated from Silver Particles

(2012) Zhiwei Huang et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Visible-Light-Absorption in Graphitic C3N4 Bilayer: Enhanced by Interlayer Coupling

(2012) Fang Wu et al.   Journal of Physical Chemistry Letters

Hybrid Graphene and Graphitic Carbon Nitride Nanocomposite: Gap Opening, Electron–Hole Puddle, Interfacial Charge Transfer, and Enhanced Visible Light Response

(2012) Aijun Du et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Electronic perturbations

(2012) Charles T. Campbell   Nature Chemistry

Transition-metal dispersion on carbon-doped boron nitride nanostructures: Applications for high-capacity hydrogen storage

(2012) Ming Chen et al.   PHYSICAL REVIEW B

Single-atom active sites on metal-organic frameworks

(2012) M. Ranocchiari et al.   PROCEEDINGS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES

Isolated Metal Atom Geometries as a Strategy for Selective Heterogeneous Hydrogenations

(2012) Georgios Kyriakou et al.   SCIENCE

Recent Advances in Preferential Oxidation of CO Reaction over Platinum Group Metal Catalysts

(2012) Kuo Liu et al.   ACS Catalysis

CO Oxidation as a Prototypical Reaction for Heterogeneous Processes

(2011) Hans-Joachim Freund et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Stability of transition metals on Mg(0001) surfaces and their effects on hydrogen adsorption

(2011) Ming Chen et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

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

(2011) Botao Qiao et al.   Nature Chemistry

Improved Description of the Structure of Molecular and Layered Crystals: Ab Initio DFT Calculations with van der Waals Corrections

(2010) Tomáš Bučko et al.   JOURNAL OF PHYSICAL CHEMISTRY A

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

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

Quantum size effects in ambient CO oxidation catalysed by ligand-protected gold clusters

(2010) Olga Lopez-Acevedo et al.   Nature Chemistry

Metal-Embedded Graphene: A Possible Catalyst with High Activity

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

Coordinatively Unsaturated Al3+ Centers as Binding Sites for Active Catalyst Phases of Platinum on  -Al2O3

(2009) J. H. Kwak et al.   SCIENCE

Electronic and Structural Properties of Two-Dimensional Carbon Nitride Graphenes

(2008) Malek Deifallah et al.   Journal of Physical Chemistry C

A metal-free polymeric photocatalyst for hydrogen production from water under visible light

(2008) Xinchen Wang et al.   NATURE MATERIALS

Identification of Active Gold Nanoclusters on Iron Oxide Supports for CO Oxidation

(2008) A. A. Herzing et al.   SCIENCE