4.6 Article

A combined computational and experimental investigation of Mg doped α-Fe2O3

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

Platinum-Doped α-Fe2O3 for Enhanced Water Splitting Efficiency: A DFT plus U Study

Ofer Neufeld et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2015)

Article Chemistry, Multidisciplinary

Effect of the method of preparation on the physicochemical and catalytic properties of nanosized Fe2O3/MgO

Sahar A. El-Molla et al.

RESEARCH ON CHEMICAL INTERMEDIATES (2015)

Article Chemistry, Multidisciplinary

Interpretation of the optical absorption spectrum of Co3O4 with normal spinel structure from first principles calculations

A. F. Lima

JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS (2014)

Article Chemistry, Multidisciplinary

Defect Engineering in Oxide Heterostructures by Enhanced Oxygen Surface Exchange

Mark Huijben et al.

ADVANCED FUNCTIONAL MATERIALS (2013)

Article Electrochemistry

Ti and Sn co-doped anodic α-Fe2O3 films for efficient water splitting

Lei Wang et al.

ELECTROCHEMISTRY COMMUNICATIONS (2013)

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 Physics, Multidisciplinary

Tuning the band gap of hematite α-Fe2O3 by sulfur doping

Congxin Xia et al.

PHYSICS LETTERS A (2013)

Article Chemistry, Multidisciplinary

Enhancement in the Performance of Ultrathin Hematite Photoanode for Water Splitting by an Oxide Underlayer

Takashi Hisatomi et al.

ADVANCED MATERIALS (2012)

Article Materials Science, Multidisciplinary

AFLOW: An automatic framework for high-throughput materials discovery

Stefano Curtarolo et al.

COMPUTATIONAL MATERIALS SCIENCE (2012)

Article Engineering, Electrical & Electronic

Synthesis and Characterization of Magnesium-Alloyed Hematite Thin Films

Houwen Tang et al.

JOURNAL OF ELECTRONIC MATERIALS (2012)

Article Chemistry, Physical

All-Oxide Photovoltaics

Sven Ruehle et al.

JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2012)

Article Chemistry, Multidisciplinary

Two-Color Antibunching from Band-Gap Engineered Colloidal Semiconductor Nanocrystals

Zvicka Deutsch et al.

NANO LETTERS (2012)

Article Physics, Multidisciplinary

Density functional theory study of Al-doped hematite

Richard Rivera et al.

PHYSICA SCRIPTA (2012)

Article Materials Science, Multidisciplinary

LaSrVMoO6: A case study for A-site covalency-driven local cationic order in double perovskites

Somnath Jana et al.

PHYSICAL REVIEW B (2012)

Review Chemistry, Multidisciplinary

Solar Water Splitting: Progress Using Hematite (alpha-Fe2O3) Photoelectrodes

Kevin Sivula et al.

CHEMSUSCHEM (2011)

Article Chemistry, Physical

Hybrid density functional theory band structure engineering in hematite

Zachary D. Pozun et al.

JOURNAL OF CHEMICAL PHYSICS (2011)

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 Engineering, Chemical

Preparation and characterization of p-type Fe2O3 pellets from Mg doping in pure oxygen atmosphere at high temperatures

Yu-Wei Tai et al.

JOURNAL OF THE TAIWAN INSTITUTE OF CHEMICAL ENGINEERS (2011)

Article Materials Science, Multidisciplinary

First-principles study of the band structure and optical absorption of CuGaS2

Irene Aguilera et al.

PHYSICAL REVIEW B (2011)

Article Chemistry, Physical

Electrodeposited Aluminum-Doped α-Fe2O3 Photoelectrodes: Experiment and Theory

Alan Kleiman-Shwarsctein et al.

CHEMISTRY OF MATERIALS (2010)

Article Chemistry, Physical

Spray pyrolytically deposited nanoporous Ti4+ doped hematite thin films for efficient photoelectrochemical splitting of water

Saroj Kumari et al.

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY (2010)

Article Physics, Applied

Electronic, structural, and magnetic effects of 3d transition metals in hematite

Muhammad N. Huda et al.

JOURNAL OF APPLIED PHYSICS (2010)

Article Energy & Fuels

Nanostructured hematite thin films produced by spin-coating deposition solution: Application in water splitting

Flavio L. Souza et al.

SOLAR ENERGY MATERIALS AND SOLAR CELLS (2009)

Article Chemistry, Physical

Rotationally invariant ab initio evaluation of Coulomb and exchange parameters for DFT+U calculations

Nicholas J. Mosey et al.

JOURNAL OF CHEMICAL PHYSICS (2008)

Article Chemistry, Multidisciplinary

Improved grid-based algorithm for Bader charge allocation

Edward Sanville et al.

JOURNAL OF COMPUTATIONAL CHEMISTRY (2007)

Article Materials Science, Multidisciplinary

A fast and robust algorithm for Bader decomposition of charge density

Graeme Henkelman et al.

COMPUTATIONAL MATERIALS SCIENCE (2006)

Article Materials Science, Multidisciplinary

Linear optical properties in the projector-augmented wave methodology

M Gajdos et al.

PHYSICAL REVIEW B (2006)

Article Materials Science, Multidisciplinary

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

G Rollmann et al.

PHYSICAL REVIEW B (2004)