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List of works by Moussab Harb

A general approach for the synthesis of bimetallic M–Sn (M = Ru, Rh and Ir) catalysts for efficient hydrogenolysis of ester

Ab initio assessment of Bi1-xRExCuOS (RE = La, Gd, Y, Lu) solid solutions as a semiconductor for photochemical water splitting

scientific article published on 28 April 2017

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

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

DFT-based investigation of different properties for transition metal-doped germanium TMGen (TM = Ru, Rh; n = 1-20) clusters

scientific article published on 17 November 2020

Designing an active Ta3N5 photocatalyst for H2 and O2 evolution reactions by specific exposed facet engineering: a first-principles study

scientific article published on 01 May 2020

Determination of the electronic, dielectric, and optical properties of sillenite Bi12TiO20 and perovskite-like Bi4Ti3O12 materials from hybrid first-principle calculations

scientific article published in April 2016

Direct versus ligand-exchange synthesis of [PtAg28(BDT)12(TPP)4]4- nanoclusters: effect of a single-atom dopant on the optoelectronic and chemical properties

scientific article

Doping-Induced Anisotropic Self-Assembly of Silver Icosahedra in [Pt2Ag23Cl7(PPh3)10] Nanoclusters

scientific article published on 9 January 2017

Enhancing Charge Carrier Lifetime in Metal Oxide Photoelectrodes through Mild Hydrogen Treatment

Fe catalysts for methane decomposition to produce hydrogen and carbon nano materials

scholarly article by Lu Zhou et al published July 2017 in Applied Catalysis B: Environmental

Impact of Interfacial Defects on the Properties of Monolayer Transition Metal Dichalcogenide Lateral Heterojunctions

scientific article published on 23 March 2017

In silico design of novel NRR electrocatalysts: cobalt-molybdenum alloys

scientific article published on 07 October 2020

Insights into the Impact of Native Defects on the Conductivity of CuVO3 Material for Photovoltaic Application: A First-Principles Computational Study

scientific article published on 20 June 2018

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

scholarly article by Moussab Harb et al published 29 August 2014 in Journal of Physical Chemistry C

Microemulsion prepared Ni88Pt12 for methane cracking

scholarly article in RSC Advances, vol. 7 no. 7, 2017

Morphology control of anatase TiO2 for well-defined surface chemistry

scientific article published on 01 May 2018

Ni–M–O (M = Sn, Ti, W) Catalysts Prepared by a Dry Mixing Method for Oxidative Dehydrogenation of Ethane

Ni–Sn-Supported ZrO2 Catalysts Modified by Indium for Selective CO2 Hydrogenation to Methanol

scientific article published on 02 April 2018

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

scholarly article by Moussab Harb et al published 13 September 2011 in Journal of Physical Chemistry C

Photocatalysis with chromium-doped TiO2: bulk and surface doping

scientific article

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

scientific article published on 9 September 2015

Quantum confinement effect of two-dimensional all-inorganic halide perovskites

Reverse microemulsion prepared Ni–Pt catalysts for methane cracking to produce COx-free hydrogen

scholarly article in RSC Advances, vol. 7 no. 69, 2017

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

scientific article

Suitable Fundamental Properties of TaVON Material for Visible-Light-Driven Photocatalysis: A DFT Study

scholarly article by Moussab Harb & Luigi Cavallo published 30 November 2016 in ACS Omega

The Comparison between Single Atom Catalysis and Surface Organometallic Catalysis

scientific article published on 15 October 2019

TiO2-supported Pt single atoms by surface organometallic chemistry for photocatalytic hydrogen evolution

scientific article published on 01 November 2019

Toward the Design of New Suitable Materials for Solar Water Splitting Using Density Functional Theory

scientific article published on 24 December 2018

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

scientific article

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