Picture of Siby Thomas

Siby Thomas, Dr. Ph.D.

Technical University of Munich

Associate Professorship of Simulation of Nanosystems for Energy Conversion (Prof. Gagliardi)

Place of employment

Associate Professorship of Simulation of Nanosystems for Energy Conversion (Prof. Gagliardi)

Work:
Karlstraße 45-47(2906)/III
80333 München

Curriculum Vitae

08/2021 - present PostDoc, Technical University of Munich (TUM), Germany
08/2019 - 07/2021 Postdoctoral Research Associate, Colorado School of Mines, USA
09/2017 - 06/2019 Postdoctoral Researcher, Hanyang University, Ansan, Republic of Korea
01/2012 - 07/2017 Doctoral fellow (Ph.D), National Institute of Technology, Karnataka (NIT-K), Surathkal, India
05/2012 - 07/2012 Summer internship training program in Physics (STIP-12), Indira Gandhi Centre for Atomic Research (IGCAR), Kalpakkam, Tamilnadu, India.
06/2009 - 05/2011 M.Sc., Physics, Mahatma Gandhi University, Kottayam, Kerala, India
06/2006 - 05/2009 B.Sc., Physics, Kannur University, Kerala, India

Fields of Research

  • Computational studies of nanomaterials, low-dimensional materials, functional materials and alloys
  • Density Functional Theory (DFT), Classical/ab-initio Molecular Dynamics (AIMD/MD), Machine Learning
  • Applications of materials for energy storage, bio and gas sensing, supercapacitors, electronic devices and additive manufacturing

Supervising & Tutoring

Supervising & Tutoring

Teaching

Winter term 2021/22

Course no.TitleDatesDurationTypeLecturer (assistant)
00EINEU016Computational Materials DesignLink5VI
0000004684PhD seminar SNELink2SE

MA: Master Thesis, BA: Bachelor Thesis, DA: Diploma Thesis,
FP: Forschungspraxis, IP: Ingenieurpraxis


Habilitation by Siby Thomas

    Publications at Simulation of Nanosystems for Energy Conversion, Prof. Alessio Gagliardi

      Publications

      Unveiling the role of atomic defects on the electronic, mechanical and elemental diffusion properties in CuS
      S Thomas, O Hildreth, M Asle Zaeem
      Scripta Materialia 192, 94-99
      1 2021
      Phosgene Gas Sensing of Ti2CT2 (T= F−, O−, OH−) MXenes
      S Thomas, M Asle Zaeem
      Advanced Theory and Simulations, 2000250
        2021
      Mechanically robust, self-healing graphene like defective SiC: A prospective anode of Li-ion batteries
      MS Manju, S Thomas, SU Lee, AK Madam
      Applied Surface Science, 148417
        2021
      Solution processed Ni2Co layered double hydroxides for high performance electrochemical sensors
      RC Sahoo, S Moolayadukkam, S Thomas, MA Zaeem, HSSR Matte
      Applied Surface Science 541, 148270
        2021
      Anharmonicities in the temperature-dependent bending rigidity of BC3 monolayer
      MS Mrudul, S Thomas, KM Ajith
      Journal of Physics and Chemistry of Solids 146, 109574
        2020
      Strain induced structural transformation, mechanical and phonon stability in silicene derived 2D-SiB
      MS Manju, S Thomas, P Anees, SU Lee, KM Ajith
      Journal of Industrial and Engineering Chemistry 90, 399-406
        2020
      Two-Dimensional Boron–Phosphorus Monolayer for Reversible NO2 Gas Sensing
      S Thomas, V Kumar, DR Roy, MA Zaeem
      ACS Applied Nano Materials 3 (10), 10073-10081
      3 2020
      A new planar BCN lateral heterostructure with outstanding strength and defect-mediated superior semiconducting to metallic properties
      S Thomas, M Asle Zaeem
      Physical Chemistry Chemical Physics 22, 22066-22077
      2 2020
      Strain-induced work function in h-BN and BCN monolayers
      S Thomas, MS Manju, KM Ajith, SU Lee, MA Zaeem
      Physica E: Low-dimensional Systems and Nanostructures 123, 114180
      7 2020
      Effect of temperature and defects on the mechanical and electronic properties of stacked van der Waals materials: The example of boron carbo-nitride
      S Thomas, M Zaeem
      Bulletin of the American Physical Society 65
        2020
      Stone-Wales type defect induced performance enhancement in BC3 monolayer for Lithium-ion battery anode applications
      S Thomas, M Zaeem
      Bulletin of the American Physical Society 65
        2020
      Stone–Wales Defect Induced Performance Improvement of BC3 Monolayer for High Capacity Lithium-Ion Rechargeable Battery Anode Applications
      S Thomas, AK Madam, MA Zaeem
      The Journal of Physical Chemistry C 124 (11), 5910-5919
      13 2020
      Rational design of a PC3 monolayer: A high-capacity, rapidly charging anode material for sodium-ion batteries
      S Jana, S Thomas, CH Lee, B Jun, SU Lee
      Carbon 157, 420-426
      5 2020
      Temperature-dependent lithium diffusion in phographene: Insights from molecular dynamics simulation
      S Thomas, S Jana, B Jun, CH Lee, SU Lee
      Journal of Industrial and Engineering Chemistry 81, 287-293
      4 2020
      Role of transition metals in layered double hydroxides for differentiating the oxygen evolution and nonenzymatic glucose sensing
      S Moolayadukkam, S Thomas, RC Sahoo, CH Lee, SU Lee, HSSR Matte
      ACS applied materials & interfaces 12 (5), 6193-6204
      11 2020
      Stone–Wales Defect Induced Performance Improvement of BC₃ Monolayer for High Capacity Lithium-Ion Rechargeable Battery Anode Applications
      S Thomas, AK Madam, MA Zaeem
       
        2020
      Phographene as a High-Performance Anode Material With High Specific Capacity and Fast Li Diffusion: From Structural, Electronic, and Mechanical Properties to LIB Applications
      S Thomas, CH Lee, S Jana, B Jun, SU Lee
      The Journal of Physical Chemistry C 123 (35), 21345-21352
      9 2019
      Two-dimensional haeckelite h567: A promising high capacity and fast Li diffusion anode material for lithium-ion batteries
      S Thomas, H Jung, S Kim, B Jun, CH Lee, SU Lee
      Carbon 148, 344-353
      20 2019
      B 3 S monolayer: Prediction of a high-performance anode material for lithium-ion batteries
      S Jana, S Thomas, CH Lee, B Jun, SU Lee
      Journal of Materials Chemistry A 7 (20), 12706-12712
      14 2019
      Atomistic insights into the anisotropic mechanical properties and role of ripples on the thermal expansion of h-BCN monolayers
      S Thomas, SU Lee
      RSC advances 9 (3), 1238-1246
      18 2019
      Atomistic dynamics investigation of the thermomechanical properties and Li diffusion kinetics in ψ-graphene for LIB anode material
      S Thomas, EB Nam, SU Lee
      ACS applied materials & interfaces 10 (42), 36240-36248
      19 2018
      Assessment of the mechanical properties of monolayer graphene using the energy and strain-fluctuation methods
      S Thomas, KM Ajith, SU Lee, MC Valsakumar
      RSC advances 8 (48), 27283-27292
      16 2018
      Effect of ripples on the finite temperature elastic properties of hexagonal boron nitride using strain-fluctuation method
      S Thomas, KM Ajith, MC Valsakumar
      Superlattices and Microstructures 111, 360-372
      8 2017
      Empirical potential influence and effect of temperature on the mechanical properties of pristine and defective hexagonal boron nitride
      S Thomas, KM Ajith, MC Valsakumar
      Materials Research Express 4 (6), 065005
      9 2017
      Molecular Dynamics Studies of the Structural, Thermo-Mechanical and Finite Size Elastic Properties of Hexagonal Boron Nitride
      S Thomas
      National Institute of Technology Karnataka, Surathkal
        2017
      Young's modulus of defective graphene sheet from intrinsic thermal vibrations
      S Thomas, MS Mrudul, KM Ajith, MC Valsakumar
      Journal of Physics: Conference Series 759 (1), 012048
      6 2016
      Directional anisotropy, finite size effect and elastic properties of hexagonal boron nitride
      S Thomas, KM Ajith, MC Valsakumar
      Journal of Physics: Condensed Matter 28 (29), 295302
      37 2016
      Structural analysis of graphene and h-BN: A molecular dynamics approach
      S Thomas, KM Ajith, MC Valsakumar
      AIP Conference Proceedings 1728 (1), 020608
        2016
      Temperature dependent structural properties and bending rigidity of pristine and defective hexagonal boron nitride
      S Thomas, KM Ajith, S Chandra, MC Valsakumar
      Journal of Physics: Condensed Matter 27 (31), 315302
      41 2015
      Molecular dynamics simulation of the thermo-mechanical properties of monolayer graphene sheet
      S Thomas, KM Ajith
      Procedia Materials Science 5, 489-498
      16 2014
      Lib
      S Thomas
      IV Phys. lectio 17a
      4