Combined experimental–theoretical study of the optoelectronic properties of non-stoichiometric pyrochlore bismuth titanate

First-Principles Investigation of Optoelectronic and Redox Properties of (Ta1–xNbx)ON Compounds for Photocatalysis

(2015) Moussab Harb   Journal of Physical Chemistry C

Visible-Light-Induced Self-Cleaning Property of Bi2Ti2O7-TiO2 Composite Nanowire Arrays

(2015) Hang Liu et al.   LANGMUIR

Predicting suitable optoelectronic properties of monoclinic VON semiconductor crystals for photovoltaics using accurate first-principles computations

(2015) Moussab Harb   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Semiconductors Used in Photovoltaic and Photocatalytic Devices: Assessing Fundamental Properties from DFT

(2014) Tangui Le Bahers et al.   Journal of Physical Chemistry C

Major Difference in Visible-Light Photocatalytic Features between Perfect and Self-Defective Ta3N5 Materials: A Screened Coulomb Hybrid DFT Investigation

(2014) Moussab Harb et al.   Journal of Physical Chemistry C

Screened coulomb hybrid DFT investigation of band gap and optical absorption predictions of CuVO3, CuNbO3 and Cu5Ta11O30 materials

(2014) Moussab Harb et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Tuning the properties of visible-light-responsive tantalum (oxy)nitride photocatalysts by non-stoichiometric compositions: a first-principles viewpoint

(2014) Moussab Harb et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Photocatalytic hydrogen production with non-stoichiometric pyrochlore bismuth titanate

(2013) Oliver Merka et al.   CATALYSIS TODAY

New Insights into the Origin of Visible-Light Photocatalytic Activity in Se-Modified Anatase TiO2 from Screened Coulomb Hybrid DFT Calculations

(2013) Moussab Harb   Journal of Physical Chemistry C

Anionic or Cationic S-Doping in Bulk Anatase TiO2: Insights on Optical Absorption from First Principles Calculations

(2013) M. Harb et al.   Journal of Physical Chemistry C

Determination of the Electronic Structure and UV–Vis Absorption Properties of (Na2–xCux)Ta4O11 from First-Principle Calculations

(2013) Moussab Harb et al.   Journal of Physical Chemistry C

Screened Coulomb Hybrid DFT Study on Electronic Structure and Optical Properties of Anionic and Cationic Te-Doped Anatase TiO2

(2013) Moussab Harb   Journal of Physical Chemistry C

Bi2Ti2O7: It Is Not What You Have Read

(2011) J. Roberto Esquivel-Elizondo et al.   CHEMISTRY OF MATERIALS

Origin of the Enhanced Visible-Light Absorption in N-Doped Bulk Anatase TiO2 from First-Principles Calculations

(2011) M. Harb et al.   Journal of Physical Chemistry C

Band-Engineered Bismuth Titanate Pyrochlores for Visible Light Photocatalysis

(2010) Sankaran Murugesan et al.   Journal of Physical Chemistry C

Bismuth titanate pyrochlore microspheres: Directed synthesis and their visible light photocatalytic activity

(2010) Jungang Hou et al.   JOURNAL OF SOLID STATE CHEMISTRY

Aerosol-spay assisted assembly of Bi2Ti2O7 crystals in uniform porous microspheres with enhanced photocatalytic activity

(2009) Zhenfeng Bian et al.   APPLIED CATALYSIS B-ENVIRONMENTAL

First-Principles Characterization of Bi-based Photocatalysts: Bi12TiO20, Bi2Ti2O7, and Bi4Ti3O12

(2009) Wei Wei et al.   Journal of Physical Chemistry C