Electronic and optical properties of new multifunctional materials via half-substituted hematite: first principles calculations

Exploration of the formation ofXLi3N2compounds (X=Sc-Zn) by means of density functional theory

(2012) J. F. Herbst et al.   PHYSICAL REVIEW B

Enhanced photoelectrochemical activity for Cu and Ti doped hematite: The first principles calculations

(2011) X. Y. Meng et al.   APPLIED PHYSICS LETTERS

p-type conduction induced by N-doping in α-Fe2O3

(2011) Takeshi Morikawa et al.   APPLIED PHYSICS LETTERS

Voltage dependent photocurrent of thin film hematite electrodes

(2011) Benjamin M. Klahr et al.   APPLIED PHYSICS LETTERS

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

(2011) Kevin Sivula et al.   ChemSusChem

First-principles study on the electronic and optical properties of F- and Nb-doped anatase TiO2

(2011) Rui-Shuo Zhang et al.   JOURNAL OF ALLOYS AND COMPOUNDS

Thermodynamic and mechanical properties of lanthanum–magnesium phases from density functional theory

(2011) J. Wróbel et al.   JOURNAL OF ALLOYS AND COMPOUNDS

The role of chelating agents on the structural and magnetic properties of α-Fe2O3 nanoparticles

(2011) R. J. S. Lima et al.   JOURNAL OF APPLIED PHYSICS

Hybrid density functional theory band structure engineering in hematite

(2011) Zachary D. Pozun et al.   JOURNAL OF CHEMICAL PHYSICS

Improved photoelectrochemical responses of Si and Ti codoped α-Fe2O3 photoanode films

(2010) Minglong Zhang et al.   APPLIED PHYSICS LETTERS

First-principles study of self-diffusion in hcp Mg and Zn

(2010) S. Ganeshan et al.   COMPUTATIONAL MATERIALS SCIENCE

First principles calculations of electronic and optical properties of Mo-doped rutile TiO2

(2010) Xiaohui Yu et al.   JOURNAL OF ALLOYS AND COMPOUNDS

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

(2010) Muhammad N. Huda et al.   JOURNAL OF APPLIED PHYSICS

Photoanodic properties of pulsed-laser-deposited α-Fe2O3electrode

(2010) Junyu Cao et al.   JOURNAL OF PHYSICS D-APPLIED PHYSICS

Electrodeposited Aluminum-Doped α-Fe2O3Photoelectrodes: Experiment and Theory

(2009) Alan Kleiman-Shwarsctein et al.   CHEMISTRY OF MATERIALS

First-principles study on effective doping to improve the optical properties in spinel nitrides

(2009) Hao Wang et al.   JOURNAL OF ALLOYS AND COMPOUNDS

First Principles Calculations of Electronic Band Structure and Optical Properties of Cr-Doped ZnO

(2009) Luyan Li et al.   Journal of Physical Chemistry C

First-principles study of elastic and phonon properties of the heavy fermion compound CeMg

(2009) S L Shang et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Morphology manipulation of α-Fe2O3 in the mixed solvent system

(2009) Ranbo Yu et al.   SOLID STATE SCIENCES

Pt-Doped α-Fe2O3Thin Films Active for Photoelectrochemical Water Splitting

(2008) Yong-Sheng Hu et al.   CHEMISTRY OF MATERIALS

Electrodeposition of α-Fe2O3 Doped with Mo or Cr as Photoanodes for Photocatalytic Water Splitting

(2008) Alan Kleiman-Shwarsctein et al.   Journal of Physical Chemistry C

Density functional theory for hydrogen storage materials: successes and opportunities

(2008) L G Hector Jr et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Thermodynamics of the Ceγ–αtransition: Density-functional study

(2008) Y. Wang et al.   PHYSICAL REVIEW B

Toward New Uses for Hematite

(2008) C. M. Eggleston   SCIENCE