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Prof. Phanikumar Pentyala

PhD (Indian Institute of Technology Kharagpur)

Assistant Professor Gr-II

Department of Chemical Engineering

Room No: 305   +91-870-2462640
phanikumar@nitw.ac.in
9444321432 Edit Profile Bio Sketch

Research Areas

 Computational Catalysis & Materials science 

 High-entropy Alloys (HEA) 

 Hybrid-MOF Materials 

 Machine learning in Material science 

  • Courses Handled
  • Research IDs
  • Selected Publications
  • Project/Consultancy
  • Current PhD Students
  • Awards and Accolades
  • Additional Responsibilities
  • Data Analytics and Machine Learning Laboratory(CH16007)
  • Data Analytics and Machine Learning(CH16005)
  • Design Thinking(CH1101)
  • Polymer Technology(CH281)
  • Chemical Reaction Engineering Laboratory(CH259)
  • Data Analytics(CH5252)
  • ORC ID: 0000-0003-2402-5838
  • SCOPUS ID: 57200754494


  • A density functional theory study of Nix (x = 4-16) cluster impregnation effects in multi-metal (Ce, Ti) UiO-66 metal-organic frameworks, By Phanikumar Pentyala, Prakash Biswas and Prateek K. Jha, Royal Society of Chemistry, New Journal of Chemistry, vol.47, pp.8549, 2023
  • Probing the surface active sites of Ce1-xNixO2-d for catalytic reduction of NO, By Reeshma Rameshan, Phanikumar Pentyala, Satyapaul A. Singh, Parag A. Deshpande, Sounak Roy, Elsevier, Journal of Environmental Chemical Engineering, vol.10, pp.108966, 2022
  • Insights into Pathway Selectivity during Anodic Formic Acid Oxidation over La1-xSrxCoO3, By Phanikumar Pentyala, Parag A.Deshpande, American Chemical Society, Industrial & Engineering Chemistry Research, vol.61, pp.4784, 2022
  • Machine learning-assisted DFT reveals key descriptors governing the vacancy formation energy in Pd-substituted multicomponent ceria, By Phanikumar Pentyala, Vibhuti Singhania, Vinay Kumar Duggineni, Parag A. Deshpande, Elsevier, Molecular Catalysis, vol.522, pp.112190, 2022
  • Computational analysis of feasibility of methane displacement by carbon dioxide during enhanced gas recovery from calcite-rich shale, By Phanikumar Pentyala, Pinak Bhusan Mohapatra, Parag A. Deshpande, Elsevier, Chemical Engineering Science, vol.239, pp.116605, 2021
  • Nanocoral CuCo2S4 thiospinels: Oxygen evolution reaction via redox interaction of metal ions, By Sethulakshmi, Narayanan, Subramanian Nellaiappan, Phanikumar Pentyala, Manu Sharma, Silvia Irusta, Parag A. Deshpande, and Sudhanshu Sharma, Elsevier, Electrochimica Acta, vol.370, pp.137701, 2021
  • Dry reforming activity due to ionic Ru in La1:99Ru0:01O3: the role of specific carbonates, By Bhanu P Gangwar, Phanikumar Pentyala, Khushubo Tiwari, Krishanu Biswas, Sudhanshu, Sharma, Parag A Deshpande, Royal Society of Chemistry, Physical Chemistry Chemical Physics, vol.21, pp.16726, 2019
  • CO Oxidation over Ce1-xPdxO2-d Takes Place via Vacancy Hopping, By Phanikumar Pentyala and Parag A. Deshpande, American Chemical Society, Industrial & Engineering Chemistry Research, vol.58, pp.7964, 2019
  • La0:8Sr0:2CoO3 as a noble-metal-free catalyst for the direct oxidation of formic acid under zero applied potential, By Bisht Anuj, Phanikumar Pentyala, Parag A. Deshpande, and Sudhanshu Sharma, Elsevier, Electrochemistry Communications, vol.99, pp.1, 2019
  • Porous materials from oppositely charged nanoparticle gel emulsions, By Phanikumar Pentyala, Mohamed Shahid, Sashikumar Ramamirtham, and Madivala G. Basavaraj, Elsevier, Colloids and Surfaces A: Physicochemical and Engineering Aspects, vol.544, pp.172, 2018


  • Faculty Advisor (Continuing from July, 2024)