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

Van der Waals Heterostructures Comprised of Ultrathin Polymer Nanosheets for Efficient Z-Scheme Overall Water Splitting

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

Understanding the activity and selectivity of single atom catalysts for hydrogen and oxygen evolution via ab initial study

(2018) Guoping Gao et al.   Catalysis Science & Technology

MXene-based materials for electrochemical energy storage

(2018) Xu Zhang et al.   Journal of Energy Chemistry

Computational screening of two-dimensional coordination polymers as efficient catalysts for oxygen evolution and reduction reaction

(2017) Guoping Gao et al.   JOURNAL OF CATALYSIS

Nanosheet Supported Single-Metal Atom Bifunctional Catalyst for Overall Water Splitting

(2017) Chongyi Ling et al.   NANO LETTERS

An efficient and pH-universal ruthenium-based catalyst for the hydrogen evolution reaction

(2017) Javeed Mahmood et al.   Nature Nanotechnology

Molybdenum disulfide and Au ultrasmall nanohybrids as highly active electrocatalysts for hydrogen evolution reaction

(2017) Jinxuan Zhang et al.   Journal of Materials Chemistry A

2D metal carbides and nitrides (MXenes) for energy storage

(2017) Babak Anasori et al.   Nature Reviews Materials

Searching for Highly Active Catalysts for Hydrogen Evolution Reaction Based on O-Terminated MXenes through a Simple Descriptor

(2016) Chongyi Ling et al.   CHEMISTRY OF MATERIALS

Single layer graphene encapsulating non-precious metals as high-performance electrocatalysts for water oxidation

(2016) Xiaoju Cui et al.   Energy & Environmental Science

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

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

Nanopolygons of Monolayer MS2: Best Morphology and Size for HER Catalysis

(2016) Yu-Rong An et al.   NANO LETTERS

Experimental realization of two-dimensional boron sheets

(2016) Baojie Feng et al.   Nature Chemistry

2D MXenes: A New Family of Promising Catalysts for the Hydrogen Evolution Reaction

(2016) Guoping Gao et al.   ACS Catalysis

NiSe Nanowire Film Supported on Nickel Foam: An Efficient and Stable 3D Bifunctional Electrode for Full Water Splitting

(2015) Chun Tang et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Benchmarking Hydrogen Evolving Reaction and Oxygen Evolving Reaction Electrocatalysts for Solar Water Splitting Devices

(2015) Charles C. L. McCrory et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Effects of stacking order, layer number and external electric field on electronic structures of few-layer C2N-h2D

(2015) Ruiqi Zhang et al.   Nanoscale

Nitrogenated holey two-dimensional structures

(2015) Javeed Mahmood et al.   Nature Communications

Bifunctional non-noble metal oxide nanoparticle electrocatalysts through lithium-induced conversion for overall water splitting

(2015) Haotian Wang et al.   Nature Communications

Recent advances in MXene: Preparation, properties, and applications

(2015) Jin-Cheng Lei et al.   Frontiers of Physics

Phosphorene: what can we know from computations?

(2015) Yu Jing et al.   Wiley Interdisciplinary Reviews-Computational Molecular Science

Nickel nitride as an efficient electrocatalyst for water splitting

(2015) Menny Shalom et al.   Journal of Materials Chemistry A

N-doped graphene as catalysts for oxygen reduction and oxygen evolution reactions: Theoretical considerations

(2014) Mingtao Li et al.   JOURNAL OF CATALYSIS

Phosphorus joins the family

(2014) Hugh O. H. Churchill et al.   Nature Nanotechnology

A Theoretical Study of Single-Atom Catalysis of CO Oxidation Using Au Embedded 2D h-BN Monolayer: A CO-Promoted O2 Activation

(2014) Keke Mao et al.   Scientific Reports

25th Anniversary Article: MXenes: A New Family of Two-Dimensional Materials

(2013) Michael Naguib et al.   ADVANCED MATERIALS

Van der Waals heterostructures

(2013) A. K. Geim et al.   NATURE

Electronics and optoelectronics of two-dimensional transition metal dichalcogenides

(2012) Qing Hua Wang et al.   Nature Nanotechnology

Electrocatalytic Oxygen Evolution Reaction (OER) on Ru, Ir, and Pt Catalysts: A Comparative Study of Nanoparticles and Bulk Materials

(2012) Tobias Reier et al.   ACS Catalysis

Single-Layer Semiconducting Nanosheets: High-Yield Preparation and Device Fabrication

(2011) Zhiyuan Zeng et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Universality in Oxygen Evolution Electrocatalysis on Oxide Surfaces

(2011) Isabela C. Man et al.   ChemCatChem

Effect of the damping function in dispersion corrected density functional theory

(2011) Stefan Grimme et al.   JOURNAL OF COMPUTATIONAL 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

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

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

“White Graphenes”: Boron Nitride Nanoribbons via Boron Nitride Nanotube Unwrapping

(2010) Haibo Zeng et al.   NANO LETTERS

DFT studies of dry reforming of methane on Ni catalyst

(2009) Yi-An Zhu et al.   CATALYSIS TODAY

Fabrication of a Freestanding Boron Nitride Single Layer and Its Defect Assignments

(2009) Chuanhong Jin et al.   PHYSICAL REVIEW LETTERS

Orbital-dependent density functionals: Theory and applications

(2008) Stephan Kümmel et al.   REVIEWS OF MODERN PHYSICS