Sergey Kozlov, Ph.D.

Alumni and Former Staff

Research Scientist

Research Interest

I employ computational chemistry methods to study various solid-state materials with interesting catalytic properties, such as metal-organic frameworks, transition metal nanoparticles, size-selected nanoclusters, and oxyhydroxide electrocatalysts.

Selected Publications

  • In-operando elucidation of bimetallic CoNi nanoparticles during high-temperature CH4/CO2 reaction
    B. AlSabban, L. Falivene, S. Kozlov, A. Aguilar-Tapia, S. Ould-Chikh, J. Hazemann, L. Cava...
    Applied Catalysis B: Environmental, 213, pp. 177-189, (2017)
  • 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)
  • Counting electrons on supported nanoparticles
    Y. Lykhach, S. M. Kozlov, T. Skála, A. Tovt, V. Stetsovych, N. Tsud, F. Dvorák, V. Johánek...
    Nature Materials, 15, 284-289, (2016)
  • How Absorbed Hydrogen Affects the Catalytic Activity of Transition Metals
    H. A. Aleksandrov, S. M. Kozlov, S. Schauermann, G. N. Vayssilov, K. M. Neyman
    Angewandte Chemie International Edition, 53, 13371-13375, (2014)
  • Insights from Methane Decomposition on Nanostructured Palladium
    S. M. Kozlov, K. M. Neyman
    Journal of Catalysis, 337, 111121, (2016)
  • How to Determine Accurate Chemical Ordering in Several Nanometer Large Bimetallic Crystallites from Electronic Stru...
    S. M. Kozlov, G. Kovács, R. Ferrando, K. M. Neyman
    Chemical Science, 6, 3868-3880, (2015)
  • Formation of one-dimensional electronic states along the step edges of CeO2 (111)
    N. Nilius, S. M. Kozlov, J.-F. Jerratsch, M. Baron, X. Shao, F. Viñes, S. Shaikhutdinov, K...
    ACS Nano, 6, 1126-1133, (2012)
  • Bulk Properties of Transition Metals: A Challenge for the Design of Universal Density Functionals
    P. Janthon, S. (A.) Luo, S. M. Kozlov, F. Viñes, J. Limtrakul, D. G Truhlar, F. Illas
    Journal of Chemical Theory and Computation, 10, 38323839, (2014)
  • Band gap engineering of graphene by physisorbed adsorbates
    S. M. Kozlov, F. Viñes, A. Görling
    Advanced Materials, 23, 2638-2643, (2011) 

Education

  • Ph.D., Chemistry, University of Barcelona, Barcelona, Spain, 2015                                                      
  • M.Sc., Physics, Novosibirsk State University, Novosibirsk, Russia, 2009
  • B.Sc., Physics, Novosibirsk State University, Novosibirsk, Russia, 2007

Professional Profile

  • 2016–now: Postdoctoral fellow, KAUST, Thuwal, Saudi Arabia
  • 2014-2016: Postdoctoral researcher, University of Barcelona, Barcelona, Spain
  • 2010-2014: PhD researcher, University of Barcelona, Barcelona, Spain
  • 2010: Research assistant, University of Erlangen-Nürnberg, Erlangen, Germany

KAUST Affiliations

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

Research Interests Keywords

Computational chemistry1 Heterogeneous catalysis DFT Materials modeling Nanotechnology

Former Faculty

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

 

Former Research Staff

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

 

Research Scientist

   
  • Jun Pan, Ph.D.
  • Pavlo Nikolaienko, Ph.D.
  • Sergey Kozlov, Ph.D.
  • Xiulin Yang, Ph.D.
  • Yuanlong Shao, Ph.D.
  • Huaifeng Li, Ph.D.

 

Postdoctoral Fellows

  • Abdesslem Jedidi, Ph.D.                                                     
  • Abhishek Dutta Chowdhury,Ph.D.
  • Akshaya K Samal, Ph.D.
  • Chaochao Yue, Ph.D.
  • Chaojie Cui, Ph.D.
  • Dandan Zhang, Ph.D.
  • Eleonora Fava, Ph.D.
  • Eva Pump, Ph.D.
  • Janet Chakkamadathil Mohandas, Ph.D.
  • Gabriel Buchel, Ph.D.
  • Ida Autiero, Ph.D.
  • Jung-Hyun Park, Ph.D.
  • Tianyou Chen, Ph.D.
  • Zhaolai Chen, Ph.D.
  • Anatoly Peshkov, Ph.D.
  • Chinmoy K. Hazra, Ph.D.
  • Luis Miguel Azofra Mesa
  • ​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.
  • Jinsong Hu, Ph.D.
  •  Somphonh Peter Phivilay, Ph.D.
  • Sandeep Kumar Mishra, Ph.D.
  • Hassan Ait Ahsaine, Ph.D. 
  • Changguang Yao, Ph.D.
  • Kwangjae Lee, Ph.D.
  • Stefania Evoli, Ph.D.
  • Shixiong Min, Ph.D.
  • Tunc Deniz, Ph.D.
  • Srikanth Pedireddy, 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.
  • Kushal Deepak Bhatte​,Ph.D.
  • Liangjin Xu, Ph.D.
  • Gangaiah Mettela,Ph.D.
  • Yogesh Raghunath Patil, Ph.D.
  • Jie Chen, Ph. D.


Ph.D. Students

  • Adrian Hol, Ph.D
  • Arwa Makki, 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.
  • 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
  • Reem Alshumrani, Ph.D.
  • Eleanor Ang Pei Ling, Ph.D.
  • Adrian Hohl, Ph.D.
  • Baraa Werghi, Ph.D.
  • Amal A. Baqais, Ph.D.
  • Ding-Jier Yuan, Ph.D.
  • Miguel Dinis Veloso Guerreiro, Ph.D.
  • Nawal alhajri, Ph.D.
  • Nazeeha Alkayal, Ph.D.
  • Noor Almana, Ph.D.
  • Nouf Al Jabri, Ph.D.
  • Reem Al-Shareef, Ph.D.
  • Sarah Almahdali, Ph.D.
  • Sheikha Lardhi, Ph.D.
  • Stefan Grotzinger, Ph.D.
  • Tatsuya Shinagawa, Ph.D.
  • Maha Al Haddad, Ph.D.
  • Muhammad Qureshi, Ph.D.
  • Keisuke Obata, Ph.D.
  • Oleksii Pustovarenko, Ph. D.


Master Students


  • Abdulaziz Khan
  • Alexandra Vancea
  • Ali Hamieh
  • Mram Alyami
  • Kanav Kalra



Former Administration

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