Moussab Harb, Ph.D.

Alumni and Former Staff

Research Scientist

Social Profile:

Research Interests

​Applying first-principles quantum computational methods based on density functional theory (DFT, including the time-dependent approach TD-DFT and the perturbation approach DFPT) to help the experimentalists understand: the structural, energetic and optical properties of bimetallic nanoparticles and doped materials used in catalysis, the optoelectronic and redox properties of semiconductor materials used in photocatalysis, and the charge-carriers kinetics at the semiconductor-semiconductor and semiconductor-metal heterojunctions used in photocatalysis.  

Selected Publications

  • Fe catalysts for methane decomposition to produce hydrogen and carbon nano materials 
    L. Zhou, L.R. Enakonda, M. Harb, Y. Saih, A. Aguilar-Tapia, S. Ould-Chikh, J.-l. Hazemann,...
    Applied Catalysis B: Environmental, Volume 208, Pages 44-59, ISSN 0926-..., (2017)
  • Determination of the electronic structure and UV-Vis absorption properties of (Na2−xCux)Ta4O11 from first principle... 
    M. Harb, D. Masih, S. Ould-Chikh, P. Sautet, J.-M. Basset, K. Takanabe
    J. Phys. Chem. C, 117, pp. 17477-17484, (2013)
  • Ni-Sn-O, Ni-Ti-O, and Ni-W-O catalysts, prepared from dry mixing method for oxidative dehydrogenation of ethane 
    H. Zhu, D. C. Rosenfeld, M. Harb, D. H. Anjum, M. Hedhili, S. Ould-Chikh, Samy, J-M. Bass...
    ACS Catalysis, (2016)
  • UV-Vis optoelectronic properties of α-SnWO4: A comparative experimental and density functional theory based study 
    A. Ziani, M. Harb, D. Noureldine and K. Takanabe
    APL Mater. 3, 096101, (2015)
  • Tuning the properties of visible-light-responsive tantalum (oxy)nitride photocatalysts by non-stoichiometric compos... 
    M. Harb, P. Sautet, E. Nurlaela, P. Raybaud, L. Cavallo, K. Domen, J.-M. Basset, K. Takana...
    Phys. Chem. Chem. Phys., 16, 20548-20560, (2014)
  • Combined experimental and theoretical assessments of the lattice dynamics and optoelectronics of TaON and Ta3N5 
    E. Nurlaela, M. Harb, S. del Gobbo, M. Vashishta, K. Takanabe
    J. Solid State Chem., 229, 219-227, (2015)
  • Doping-Induced Anisotropic Self-Assembly of Silver Icosahedra in [Pt2Ag23Cl7(PPh3)10] Nanoclusters 
    M.S. Bootharaju, S.M. Kozlov, Z. Cao, M. Harb, N.i Maity, A. Shkurenko, M.R. Parida, M.N. ...
    DOI: 10.1021/jacs.6b11875, (2017)
  • Anionic or cationic S-doping in bulk anatase TiO2: insights on optical absorption from first principles calculation... 
    M. Harb, P. Sautet, P. Raybaud
    J. Phys. Chem. C, 117, 8892-8902, (2013)
  • Combined experimental–theoretical study of the optoelectronic properties of non-stoichiometric pyrochlore bismuth t... 
    D. Noureldine, S. Lardhi, A. Ziani, M. Harb, L. Cavallo, K. Takanabe
    J. Mater. Chem. C, 3, pp. 12032-12039 , (2015)
  • Critical difference between optoelectronic properties of α- and β-SnWO4 semiconductors: A DFT/HSE06 and experimenta... 
    M. Harb, A. Ziani, K. Takanabe
    Phys. Status Solidi b, 253, pp. 1115-1119, (2016)

Education

  • Ph.D., Computational Physical Chemistry, Claude Bernard University (UCBL), France, 2008.
  • ​M.Sc., Quantum Physics and Technology (Atoms, Molecules, Photons), Claude Bernard University (UCBL), France, 2005.
  • ​B.Sc., General Physics, Lebanese University (LU), Lebanon, 2002. ​

Professional Profile

​

  •  April 2014 – Present:      Research Engineer, KAUST University, Saudi Arabia.
  • 2011 - 2014:        Postdoctoral Research Fellow, KAUST University, Saudi Arabia.
  • 2009 - 2011:        Postdoctoral Research Fellow, French Petroleum Institute (IFPEN) and Ecole Normale Superieure (ENS), France.
  • 2008 - 2009:        Postdoctoral Research Fellow, Multidisciplinary Research Institute on Environment and Materials (IPREM), France. 
  • ​​2005-2008:          Lecturer, Claude Bernard University (UCBL), France.

KAUST Affiliations

  • ​​​KAUST Catalysis Center (KCC)
  • ​Division of Physical Sciences and Engineering (PSE)

Research Interests Keywords

Density Functional Theory (DFT) Computational Quantum Physical Chemistry Heterogeneous catalysis ​Photocatalysis Optoelectronics Materials Science

Former Faculty

  • ​Jorg Eppinger, Ph.D. (Assistant Professor)
  • Jr-Hau He, Ph.D. (Associate Professor)
  • Kazuhiro Takanabe, Ph.D. (Professor)
  • Lain-Jong Li, Ph.D. (Professor)
  • Valentin Rodionov, Ph.D. (Assistant Professor)
  • Vicent Tung, Ph.D. (Associate Professor)
  • Yu Han, Ph.D. (Professor)

 

Former Research Staff

  • Abou-Hamad edy, Ph.D. Research Engineer
  • Douaa Hamed (Lab Technician)
  • Haibo Zhu, Ph.D. (Research Scientist)
  • Isidoro Morales Osorio , Ph.D. (Research Technician)
  • Jeremie Pelletier ( Lab Manager)
  • Jing Fan (Lab Technician)
  • Lu Zhou
  • Lan Zhao (Research Technician)
  • Linjie Su (Lab Technician)
  • Rong-rong Jiang (Lab Technician)

Research Scientist

  • Chen Zhu, Ph.D.
  • Huaifeng Li, Ph.D.
    • Jun Pan, Ph.D.
    • Muralirajan Krishnamoorthy, Ph.D.
    • Pavlo Nikolaienko, Ph.D.
    • Ram Karan, Ph.D.
    • Sergey Kozlov, Ph.D.
    • Xiulin Yang, Ph.D.
    • Yuanlong Shao, Ph.D.
    • Yichen Cai, Ph.D.

    Postdoctoral Fellows

    • Abdesslem Jedidi, Ph.D.                                                     
    • Abhishek Dutta Chowdhury,Ph.D.
    • Akshaya K Samal, Ph.D.
    • Anatoly Peshkov, Ph.D.
    • Athira Cheruvelil, Ph.D.
    • Chaochao Yue, Ph.D.
    • Chaojie Cui, Ph.D.
    • Changguang Yao, Ph.D.
    • Chinmoy K. Hazra, Ph.D.
    • Dandan Zhang, Ph.D.
    • Diego Zapater Bes, Ph.D.
    • Eleonora Fava, Ph.D.
    • Eva Pump, Ph.D.
    • Fazal Raziq, Ph.D.
    • Gabriel Buchel, Ph.D.
    • Gangaiah Mettela,Ph.D.
    • Hong Wang, Ph.D.
    • Hassan Ait Ahsaine, Ph.D.
    • Ida Autiero, Ph.D.
    • Janet Chakkamadathil Mohandas, Ph.D.
    • Jung-Hyun Park, Ph.D.
    • Jinsong Hu, Ph.D.
    • Jie Chen, Ph.D.
    • Kwangjae Lee, Ph.D.
    • Karthik Peramaiya, Ph.D.
    • Kushal Deepak Bhatte​,Ph.D.
    • Luis Miguel Azofra Mesa
    • Liangjin Xu, Ph.D.
    • ​Manbo Li, Ph.D.
    • Michael Kelly, Ph.D.
    • Mannathan Subramaniyan, Ph.D.
    • Manas Bhunia, Ph.D.
    • Niladri Maity, Ph.D.
    • Olga Gladkovskaya, Ph.D.
    • Raju Dey, Ph.D.
    • Sai Vikrama Chaitanya vummaleti, Ph.D.
    •  Somphonh Peter Phivilay, Ph.D.
    • Sandeep Kumar Mishra, Ph.D.
    • Shao-Chi Lee, Ph.D.
    • Stefania Evoli, Ph.D.
    • Shixiong Min, Ph.D.
    • Srikanth Pedireddy, Ph.D.
    • Shashank Sakleshpur Nagaraja, Ph.D.
    • Tunc Deniz, Ph.D.
    • Tianyou Chen, Ph.D.
    • Wei Zhao, Ph.D.
    • Won Suk Juang, Ph.D.
    • Xuechao Liu, Ph.D.
    • Xiufang wang, Ph.D.
    • Yuan Wang, Ph.D.
    • Yunfei Cai, Ph.D.
    • Yupeng Pan, Ph.D.
    • Yuri Lebedev, Ph.D.
    • Yogesh Raghunath Patil, Ph.D.
    • Zhaolai Chen, Ph.D.

    Ph.D. Students

    • Adrian Hol, Ph.D
    • Arwa Makki, Ph.D.
    • Adrian Hohl, Ph.D.
    • Amal A. Baqais, Ph.D.
    • Abdullah Dakhi, Ph.D.
    • Azimet Karluk, Ph.D.
    • Baraa Werghi, Ph.D.
    • Batian Chen, Ph.D.
    • Bilel Hamzaoui, Ph.D.
    • Bedour E. Al-Sabban, Ph.D.
    • Chao Guan, Ph.D.
    • Dalal Noureldine, Ph.D.
    • Duanxing Li, Ph.D.
    • Ding-Jier Yuan, Ph.D.
    • Eleanor Ang Pei Ling, Ph.D.
    • Gabriel Jeantelot, Ph.D.
    • Hind Al-Johani, Ph.D.
    • Haleema Alamri, Ph.D.
    • Hsin-Hua Huang, Ph.D. 
    • Israa Salem Al-Rowaihi, Ph.D.
    • Ibrahim Dursun
    • Keisuke Obata, Ph.D.
    • Liliana Panarone, Ph.D.
    • Miguel Dinis Veloso Guerreiro, Ph.D.
    • Maha Al Haddad, Ph.D.
    • Muhammad Qureshi, Ph.D.
    • Muhammad Naufal Lintangpradipto, Ph.D.
    • Nawal alhajri, Ph.D.
    • Nazeeha Alkayal, Ph.D.
    • Noor Almana, Ph.D.
    • Nouf Al Jabri, Ph.D.
    • Nikita Kolobo, Ph.D.
    • Oleksii Pustovarenko, Ph. D.
    • Quaid Johar Samun Virpurwala, Ph.D.
    • Reem Al-Shareef, Ph.D.
    • Reem Alshumrani, Ph.D.
    • Sarah Almahdali, Ph.D.
    • Sheikha Lardhi, Ph.D.
    • Stefan Grotzinger, Ph.D.
    • Tatsuya Shinagawa, Ph.D.

    Master Students

    • Abdulaziz Khan
    • Abdulelah Qahtan
    • Amer Alabd
    • Alexandra Vancea
    • Ali Hamieh
    • Khalid F. Alahmadi
    • Kanav Kalra
    • Mram Alyami
    • Mohammad Al Rebh
    • Salha E. Alotaibi


    Former Administration

    • Ann Bauwens (Executive Secretary)
    • Jiao Qiu (Business Administrator)
    • Wenwen Zhu(Administrative Assistant)
    • Xijun Deng(Administrative Assistant)
    • Xianzheng Meng(Business Administrator)
    • Yi-Cing Li (Business Administrator)