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

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

(2015) Moussab Harb   Journal of Physical Chemistry C

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

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

Practical Roadmap and Limits to Nanostructured Photovoltaics

(2011) Richard R. Lunt et al.   ADVANCED 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

Dye-Sensitized Solar Cells

(2010) Anders Hagfeldt et al.   CHEMICAL REVIEWS

Development of alternative photocatalysts to TiO2: Challenges and opportunities

(2009) María D. Hernández-Alonso et al.   Energy & Environmental Science

Inorganic Materials as Catalysts for Photochemical Splitting of Water

(2007) Frank E. Osterloh   CHEMISTRY OF MATERIALS