High performance SACs for HER process using late first-row transition metals anchored on graphyne support: A DFT insight

Rational Design of Graphene-Supported Single Atom Catalysts for Hydrogen Evolution Reaction

(2019) Md Delowar Hossain et al.   Advanced Energy Materials

Design of a High-Performance Electrocatalyst for N2 Conversion to NH3 by Trapping Single Metal Atoms on Stepped CeO2

(2019) Jiamin Qi et al.   ACS Applied Materials & Interfaces

Hydrogen adsorption on pristine and platinum decorated graphene quantum dot: A first principle study

(2019) Vaishali Sharma et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Graphyne and Its Family: Recent Theoretical Advances

(2018) Jun Kang et al.   ACS Applied Materials & Interfaces

Nanocatalysts for hydrogen evolution reactions

(2018) Kasinath Ojha et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Selective hydrogenation of 1,3-butadiene catalyzed by a single Pd atom anchored on graphene: the importance of dynamics

(2018) Yingxin Feng et al.   Chemical Science

Anchoring zero valence single atoms of nickel and iron on graphdiyne for hydrogen evolution

(2018) Yurui Xue et al.   Nature Communications

On-Surface Synthesis of Graphyne-Based Nanostructures

(2018) Xuechao Li et al.   ADVANCED MATERIALS

High-Performance Rh2P Electrocatalyst for Efficient Water Splitting

(2017) Haohong Duan et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Earth-abundant catalysts for electrochemical and photoelectrochemical water splitting

(2017) Isolda Roger et al.   Nature Reviews Chemistry

Defects Engineered Monolayer MoS2 for Improved Hydrogen Evolution Reaction

(2016) Gonglan Ye et al.   NANO LETTERS

A multifunctional biphasic water splitting catalyst tailored for integration with high-performance semiconductor photoanodes

(2016) Jinhui Yang et al.   NATURE MATERIALS

Thermally stable single-atom platinum-on-ceria catalysts via atom trapping

(2016) J. Jones et al.   SCIENCE

Nanoporous Graphene with Single-Atom Nickel Dopants: An Efficient and Stable Catalyst for Electrochemical Hydrogen Production

(2015) H.-J. Qiu et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Oxygen Evolution Reaction Electrocatalysis on Transition Metal Oxides and (Oxy)hydroxides: Activity Trends and Design Principles

(2015) Michaela S. Burke et al.   CHEMISTRY OF MATERIALS

Theoretical evaluation of the surface electrochemistry of perovskites with promising photon absorption properties for solar water splitting

(2015) Joseph H. Montoya et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Recent advances in semiconductors for photocatalytic and photoelectrochemical water splitting

(2014) Takashi Hisatomi et al.   CHEMICAL SOCIETY REVIEWS

Graphdiyne and graphyne: from theoretical predictions to practical construction

(2014) Yongjun Li et al.   CHEMICAL SOCIETY REVIEWS

Pyrene: Hydrogenation, hydrogen evolution, and π-band model

(2011) Jakob Arendt Rasmussen et al.   JOURNAL OF CHEMICAL PHYSICS

Multiwfn: A multifunctional wavefunction analyzer

(2011) Tian Lu et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Efficient and Accurate Double-Hybrid-Meta-GGA Density Functionals—Evaluation with the Extended GMTKN30 Database for General Main Group Thermochemistry, Kinetics, and Noncovalent Interactions

(2010) Lars Goerigk et al.   Journal of Chemical Theory and Computation

Long-range corrected hybrid density functionals with damped atom–atom dispersion corrections

(2008) Jeng-Da Chai et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS