Defects and doping engineered two-dimensional o-B2N2 for hydrogen evolution reaction catalyst: Insights from DFT simulation

Theoretical inspection of Ni/α-SiX (X=N, P, As, Sb, Bi) Single-Atom catalyst: Ultra-high performance for hydrogen evolution reaction

(2022) Darshil Chodvadiya et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Density functional theory study of the hydrogen evolution reaction in haeckelite boron nitride quantum dots

(2022) Rupali Jindal et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

High-Performance Hydrogen Storage Properties of Li-Decorated B2N2 Nanosheets: A Periodic Density Functional Theory Study

(2021) Rezvan Rahimi et al.   ENERGY & FUELS

Enhancement in the catalytic activity of two-dimensional α-CN by B, Si and P doping for hydrogen evolution and oxygen evolution reactions

(2021) Darshil Chodvadiya et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Type-II GeAs/GaSe heterostructure as suitable candidate for solar power conversion efficiency

(2021) Madhavi H. Dalsaniya et al.   SOLAR ENERGY

S- and N-Doped Graphene-based Catalysts for the Oxygen Evolution Reaction

(2020) L.M. Rivera-Gavidia et al.   ELECTROCHIMICA ACTA

Catalytic activity and underlying atomic rearrangement in monolayer CoOOH towards HER and OER

(2020) Sharad Babu Pillai et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Strain-Engineered Metal-Free h-B2O Monolayer as a Mechanocatalyst for Photocatalysis and Improved Hydrogen Evolution Reaction

(2020) Xiaofeng Zhao et al.   Journal of Physical Chemistry C

Recent progress in electrode fabrication for electrocatalytic hydrogen evolution reaction: A mini review

(2020) Wei Yang et al.   CHEMICAL ENGINEERING JOURNAL

Hydrogen Evolution Reaction over Single-Atom Catalysts Based on Metal Adatoms at Defected Graphene and h-BN

(2020) Dušan N. Sredojević et al.   Journal of Physical Chemistry C

Tunable Optical Properties of 2D Materials and Their Applications

(2020) Qijie Ma et al.   Advanced Optical Materials

Catalytic Activity Origin and Design Principles of Graphitic Carbon Nitride Electrocatalysts for Hydrogen Evolution

(2019) Yonghao Zhu et al.   Frontiers in Materials

ab initio Energetics and Thermoelectric Profiles of Gallium Pnictide Polytypes

(2019) Trupti K. Gajaria et al.   Scientific Reports

Single Mo atoms supported on N-Doped carbon with N/C edge-site for enhanced electrochemical hydrogen evolution

(2019) Xiaoping Gao et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Hydrogen evolution and oxygen evolution reactions of pristine and alkali metal doped SnSe2 monolayer

(2019) Archana N. Inamdar et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Hydrogen evolution reaction of metal di-chalcogenides: ZrS2, ZrSe2 and Janus ZrSSe

(2019) Narayan N. Som et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Investigating hydrogen evolution reaction properties of a new honeycomb 2D AlC

(2019) Khushbu Patel et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Holey graphitic carbon nitride (g-CN) supported bifunctional single atom electrocatalysts for highly efficient overall water splitting

(2019) Xingshuai Lv et al.   APPLIED CATALYSIS B-ENVIRONMENTAL

Mechanistic Insight into Enhanced Hydrogen Evolution Reaction Activity of Ultrathin Hexagonal Boron Nitride-Modified Pt Electrodes

(2018) Anku Guha et al.   ACS Catalysis

Graphene Defects Trap Atomic Ni Species for Hydrogen and Oxygen Evolution Reactions

(2018) Longzhou Zhang et al.   Chem

Insights on hydrogen evolution reaction in transition metal doped monolayer TcS2 from density functional theory calculations

(2018) Cecil Naphtaly Moro Ouma et al.   APPLIED SURFACE SCIENCE

Electrocatalysts for hydrogen evolution reaction

(2017) Ali Eftekhari   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Electronic and optical properties of strained graphene and other strained 2D materials: a review

(2017) Gerardo G Naumis et al.   REPORTS ON PROGRESS IN PHYSICS

Theoretical evaluation of the structure–activity relationship in graphene-based electrocatalysts for hydrogen evolution reactions

(2017) Chi Ho Lee et al.   RSC Advances

Activating Inert Basal Planes of MoS2 for Hydrogen Evolution Reaction through the Formation of Different Intrinsic Defects

(2016) Yixin Ouyang et al.   CHEMISTRY OF MATERIALS

Long Range Functionalization of h-BN Monolayer by Carbon Doping

(2016) Min Gao et al.   Journal of Physical Chemistry C

The role of electronic coupling between substrate and 2D MoS2 nanosheets in electrocatalytic production of hydrogen

(2016) Damien Voiry et al.   NATURE MATERIALS

Highly Efficient Electrochemical Hydrogen Evolution Reaction at Insulating Boron Nitride Nanosheet on Inert Gold Substrate

(2016) Kohei Uosaki et al.   Scientific Reports

Recent Development in Hydrogen Evolution Reaction Catalysts and Their Practical Implementation

(2015) Peter C. K. Vesborg et al.   Journal of Physical Chemistry Letters

Carbon nitride with simultaneous porous network and O-doping for efficient solar-energy-driven hydrogen evolution

(2015) Zhen-Feng Huang et al.   Nano Energy

Synthesis, Properties, and Applications of 2-D Materials: A Comprehensive Review

(2014) Santanu Das et al.   CRITICAL REVIEWS IN SOLID STATE AND MATERIALS SCIENCES

Nanoporous sulfur-doped graphitic carbon nitride microrods: A durable catalyst for visible-light-driven H 2 evolution

(2014) Liang-Liang Feng et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

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

(2014) Mingtao Li et al.   JOURNAL OF CATALYSIS

Hydrogen evolution by a metal-free electrocatalyst

(2014) Yao Zheng et al.   Nature Communications

Metal-free B-doped graphene with efficient electrocatalytic activity for hydrogen evolution reaction

(2014) Bhaskar R. Sathe et al.   Catalysis Science & Technology

A convenient method to prepare a novel alkali metal sodium doped carbon nitride photocatalyst with a tunable band structure

(2014) Jian Zhang et al.   RSC Advances

Core–shell MoO3–MoS2Nanowires for Hydrogen Evolution: A Functional Design for Electrocatalytic Materials

(2011) Zhebo Chen et al.   NANO LETTERS

QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials

(2009) Paolo Giannozzi et al.   JOURNAL OF PHYSICS-CONDENSED MATTER