4.6 Article

First-Principles Investigation of β-FeOOH for Hydrogen Evolution: Identifying Reactive Sites and Boosting Surface Reactions

相关参考文献

注意:仅列出部分参考文献,下载原文获取全部文献信息。
Article Chemistry, Physical

Surface and interface engineering of hierarchical photocatalysts

Rongchen Shen et al.

APPLIED SURFACE SCIENCE (2019)

Article Materials Science, Multidisciplinary

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

Yonghao Zhu et al.

FRONTIERS IN MATERIALS (2019)

Review Chemistry, Physical

A critical review in strategies to improve photocatalytic water splitting towards hydrogen production

Nur Fajrina et al.

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY (2019)

Article Chemistry, Physical

In-situ synthesis of AgNbO3/g-C3N4 photocatalyst via microwave heating method for efficiently photocatalytic H2 generation

Pengfei Chen et al.

JOURNAL OF COLLOID AND INTERFACE SCIENCE (2019)

Article Chemistry, Multidisciplinary

Plasma Hydrogenated TiO2/Nickel Foam as an Efficient Bifunctional Electrocatalyst for Overall Water Splitting

Yong Yan et al.

ACS SUSTAINABLE CHEMISTRY & ENGINEERING (2019)

Review Chemistry, Multidisciplinary

Recent developments in heterogeneous photocatalysts for solar-driven overall water splitting

Zheng Wang et al.

CHEMICAL SOCIETY REVIEWS (2019)

Review Chemistry, Physical

Solar-to-Hydrogen Energy Conversion Based on Water Splitting

Jing Qi et al.

ADVANCED ENERGY MATERIALS (2018)

Review Chemistry, Physical

Photoelectrocatalytic Materials for Solar Water Splitting

Tingting Yao et al.

ADVANCED ENERGY MATERIALS (2018)

Article Chemistry, Physical

Earth-abundant elements doping for robust and stable solar-driven water splitting by FeOOH

Junqing Yan et al.

JOURNAL OF MATERIALS CHEMISTRY A (2017)

Article Chemistry, Multidisciplinary

Design of Novel Visible Light Active Photocatalyst Materials: Surface Modified TiO2

Michael Nolan et al.

ADVANCED MATERIALS (2016)

Article Chemistry, Physical

Boron as a promoter in the goethite (α-FeOOH) phase: Organic compound degradation by Fenton reaction

Aline M. Mesquita et al.

APPLIED CATALYSIS B-ENVIRONMENTAL (2016)

Article Chemistry, Multidisciplinary

LOBSTER: A Tool to Extract Chemical Bonding from Plane-Wave Based DFT

Stefan Maintz et al.

JOURNAL OF COMPUTATIONAL CHEMISTRY (2016)

Article Chemistry, Multidisciplinary

Photocatalytic Properties of All Four Polymorphs of Nanostructured Iron Oxyhydroxides

Abdinoor A. Jelle et al.

CHEMNANOMAT (2016)

Review Chemistry, Physical

The Bronsted-Evans-Polanyi Correlations in Oxidation Catalysis

Gennady I. Panov et al.

CATALYSIS REVIEWS-SCIENCE AND ENGINEERING (2015)

Article Chemistry, Physical

Electron transport in pure and substituted iron oxyhydroxides by small-polaron migration

Vitaly Alexandrov et al.

JOURNAL OF CHEMICAL PHYSICS (2014)

Article Chemistry, Physical

Implicit solvation model for density-functional study of nanocrystal surfaces and reaction pathways

Kiran Mathew et al.

JOURNAL OF CHEMICAL PHYSICS (2014)

Article Chemistry, Physical

Band gap modulation of functionalized metal-organic frameworks

Terence Musho et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2014)

Article Chemistry, Multidisciplinary

Analytic Projection From Plane-Wave and PAW Wavefunctions and Application to Chemical-Bonding Analysis in Solids

Stefan Maintz et al.

JOURNAL OF COMPUTATIONAL CHEMISTRY (2013)

Article Materials Science, Multidisciplinary

Accuracy of exchange-correlation functionals and effect of solvation on the surface energy of copper

Matthew Fishman et al.

PHYSICAL REVIEW B (2013)

Article Chemistry, Physical

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

Volker L. Deringer et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2011)

Article Chemistry, Physical

First principles scheme to evaluate band edge positions in potential transition metal oxide photocatalysts and photoelectrodes

Maytal Caspary Toroker et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2011)

Review Thermodynamics

Recent progress in alkaline water electrolysis for hydrogen production and applications

Kai Zeng et al.

PROGRESS IN ENERGY AND COMBUSTION SCIENCE (2010)

Review Chemistry, Applied

An overview of hydrogen production technologies

J. D. Holladay et al.

CATALYSIS TODAY (2009)

Review Chemistry, Multidisciplinary

Ab-initio simulations of materials using VASP: Density-functional theory and beyond

Juergen Hafner

JOURNAL OF COMPUTATIONAL CHEMISTRY (2008)

Article Chemistry, Physical

Stable cluster formation in aqueous suspensions of iron oxyhydroxide nanoparticles

Benjamin Gilbert et al.

JOURNAL OF COLLOID AND INTERFACE SCIENCE (2007)

Article Chemistry, Physical

Influence of the exchange screening parameter on the performance of screened hybrid functionals

Aliaksandr V. Krukau et al.

JOURNAL OF CHEMICAL PHYSICS (2006)

Article Physics, Multidisciplinary

Quasiparticle self-consistent GW theory

M. van Schilfgaarde et al.

PHYSICAL REVIEW LETTERS (2006)

Article Materials Science, Multidisciplinary

A fast and robust algorithm for Bader decomposition of charge density

Graeme Henkelman et al.

COMPUTATIONAL MATERIALS SCIENCE (2006)

Article Electrochemistry

Trends in the exchange current for hydrogen evolution

JK Norskov et al.

JOURNAL OF THE ELECTROCHEMICAL SOCIETY (2005)

Article Materials Science, Multidisciplinary

First-principles calculation of the structure and magnetic phases of hematite

G Rollmann et al.

PHYSICAL REVIEW B (2004)

Article Chemistry, Physical

The Bronsted-Evans-Polanyi relation and the volcano curve in heterogeneous catalysis

T Bligaard et al.

JOURNAL OF CATALYSIS (2004)