Computational Design of Pd Nanoclusters and Pd Single-Atom Catalysts Supported on O-Functionalized Graphene

Synthesis Strategies, Catalytic Applications, and Performance Regulation of Single‐Atom Catalysts

(2021) Jiangbo Xi et al.   ADVANCED FUNCTIONAL MATERIALS

Spillover in Heterogeneous Catalysis: New Insights and Opportunities

(2021) Mi Xiong et al.   ACS Catalysis

Highly active, selective, and stable Pd single-atom catalyst anchored on N-doped hollow carbon sphere for electrochemical H2O2 synthesis under acidic conditions

(2020) Jiangbo Xi et al.   JOURNAL OF CATALYSIS

Nanoparticles and Single Atoms in Commercial Carbon-Supported Platinum-Group Metal Catalysts

(2019) Urša Petek et al.   Catalysts

Effect of mesoporous carbon support nature and pretreatments on palladium loading, dispersion and apparent catalytic activity in hydrogenation of myrcene

(2019) R. Castro Contreras et al.   JOURNAL OF CATALYSIS

A Theory/Experience Description of Support Effects in Carbon-Supported Catalysts

(2019) Iann C. Gerber et al.   CHEMICAL REVIEWS

Control of metal-support interactions in heterogeneous catalysts to enhance activity and selectivity

(2019) Tom W. van Deelen et al.   Nature Catalysis

Confined-interface-directed synthesis of Palladium single-atom catalysts on graphene/amorphous carbon

(2018) Jiangbo Xi et al.   APPLIED CATALYSIS B-ENVIRONMENTAL

Single atom catalysts on carbon-based materials

(2018) Philippe Serp et al.   ChemCatChem

Towards Understanding of the Support Effect on Pd1 Single-Atom Catalyzed Hydrogenation Reactions

(2018) Xiaohui Huang et al.   Journal of Physical Chemistry C

Chemically Tunable Properties of Graphene Covered Simultaneously with Hydroxyl and Epoxy Groups

(2017) I. Guilhon et al.   Journal of Physical Chemistry C

Hydrogen Storage Performance in Pd/Graphene Nanocomposites

(2016) Chunyu Zhou et al.   ACS Applied Materials & Interfaces

Theoretical characterization of the surface composition of ruthenium nanoparticles in equilibrium with syngas

(2016) Lucy Cusinato et al.   Nanoscale

A fundamental analysis of enhanced cross-coupling catalytic activity for palladium clusters on graphene supports

(2016) Y. Yang et al.   Nanoscale

Energetics of atomic scale structure changes in graphene

(2015) Stephen T. Skowron et al.   CHEMICAL SOCIETY REVIEWS

Density Functional Theory Modeling of Multilayer “Epitaxial” Graphene Oxide

(2014) Si Zhou et al.   ACCOUNTS OF CHEMICAL RESEARCH

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

Functionalization of porous carbons for catalytic applications

(2013) José Luís Figueiredo   Journal of Materials Chemistry A

Graphene Oxide: Preparation, Functionalization, and Electrochemical Applications

(2012) Da Chen et al.   CHEMICAL REVIEWS

Theoretical and Experimental Studies on the Carbon-Nanotube Surface Oxidation by Nitric Acid: Interplay between Functionalization and Vacancy Enlargement

(2011) Iann Gerber et al.   CHEMISTRY-A EUROPEAN JOURNAL

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

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

Controlling and Quantifying Oxygen Functionalities on Hydrothermally and Thermally Treated Single-Wall Carbon Nanotubes

(2011) George E. Romanos et al.   Journal of Physical Chemistry C

Stone-Wales-type transformations in carbon nanostructures driven by electron irradiation

(2011) J. Kotakoski et al.   PHYSICAL REVIEW B

Graphene-based materials for catalysis

(2011) Bruno F. Machado et al.   Catalysis Science & Technology

H2-Induced Reconstruction of Supported Pt Clusters: Metal-Support Interaction versus Surface Hydride

(2010) Christophe Mager-Maury et al.   ChemCatChem

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

Size-Dependent Hydrogen Sorption in Ultrasmall Pd Clusters Embedded in a Mesoporous Carbon Template

(2010) Claudia Zlotea et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Structural evolution during the reduction of chemically derived graphene oxide

(2010) Akbar Bagri et al.   Nature Chemistry

Graphene Oxide, Highly Reduced Graphene Oxide, and Graphene: Versatile Building Blocks for Carbon-Based Materials

(2010) Owen C. Compton et al.   Small

Photoluminescence and band gap modulation in graphene oxide

(2009) Zhengtang Luo et al.   APPLIED PHYSICS LETTERS

Ligand effect on the NMR, vibrational and structural properties of tetra- and hexanuclear ruthenium hydrido clusters: a theoretical investigation

(2009) I. del Rosal et al.   DALTON TRANSACTIONS

Atomic and Electronic Structure of Graphene-Oxide

(2009) K. Andre Mkhoyan et al.   NANO LETTERS

Ultraflat graphene

(2009) Chun Hung Lui et al.   NATURE

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

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

Reactions of Olefins with Ruthenium Hydride Nanoparticles: NMR Characterization, Hydride Titration, and Room-Temperature CC Bond Activation

(2008) Jordi García-Antón et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Mesoporous Carbon Materials: Synthesis and Modification

(2008) Chengdu Liang et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Hydrogen and oxygen adsorption stoichiometries on silica supported ruthenium nanoparticles

(2008) Romain Berthoud et al.   JOURNAL OF CATALYSIS

Chemical Functionalization of Graphene with Defects

(2008) D. W. Boukhvalov et al.   NANO LETTERS

Synthesis of Water Soluble Graphene

(2008) Yongchao Si et al.   NANO LETTERS

Raman Spectra of Graphite Oxide and Functionalized Graphene Sheets

(2007) Konstantin N. Kudin et al.   NANO LETTERS