Publications
"The joy of discovery is certainly the liveliest that the mind of man can ever feel" - Claude Bernard
2026
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Ab initio transport calculation of half Heusler alloys
Ankit Kumar*, Bhawana Sahni, Neophytos Neophytou
(Under Review)
23. Defect assisted ultra High zT of TaFeSb based Half-Heuslers
Ankit Kumar*, S. S. Vishak, Prasenjit Ghosh, and Surjeet Singh*
Small, 2026; 22:e73765
https://doi.org/10.1002/smll.73765
22. Efficient Descriptors for the Power Factor of Thermoelectric Materials
Nirmal K Ramalingam, Rajeev Dutt, Bhawna Sahni, Ankit Kumar, Neophytos Neophytou
ACS Appl. Energy Mater. 2026
https://doi.org/10.1021/acsaem.6c00590
21. Understanding the NO2 Sensing Mechanism on CdS Quantum Dots via Experimental and First-Principles
Krushna R Zoting, Laxman N Bhoye, Ankit Kumar, Om G Jadhav, Vamshi Krishna Sabbi, Balaji G Ghule,
Haribhau M Gholap
Langmuir 2026, 42, 12, 8756–8772
https://doi.org/10.1021/acs.langmuir.6c00008
20. Gallium Vanadium Oxide-Based Free-Standing Versatile Electrode for Next-Generation Lithium and Sodium Energy
Storage: Combined Experimental and First-Principles Insights into Electrochemical Performance
Amarsingh Bhabu Kanagaraj, Abhishek Chandrakant Lokhande, Gautam Sharma, Ravindra N. Bulakhe,
Ankit Kumar, Nirpendra Singh, Daniel S. Choi
Energy Environ. Mater. 2026, 9, e70082
https://doi.org/10.1002/eem2.70082
19. Carrier scattering considerations and thermoelectric power factors of half-Heuslers
Rajeev Dutt, Bhawna Sahni, Yao Zhao, Yuji Go, Saff E Awal Akhtar, Ankit Kumar, Sumit Kukreti, Patrizio
Graziosi, Zhen Li, Neophytos Neophytou
J. Mater. Chem. A, 2026, 14, 10332-10345
2025
18. Entropy-stabilized half-Heusler alloys (TiHf)1/2(FeCoNi)1/3Sb with ultralow lattice thermal conductivity
Ankit Kumar, S. S. Vishak, Anustoop Das, Kanishka Viswas, Prasenjit Ghosh, and Surjeet Singh*
Chem. Mater. 2025, 37, 4, 1370–1381
doi.org/10.1021/acs.chemmater.4c02094
17. Elucidating the role of hierarchical bonding, electronegativity and chemical pressure on thermoelectric properties of double Half Heuslers
Ankit Kumar, and Prasenjit Ghosh*
ACS App. Energy Mat. 2025, 8, 3, 1507–1517
doi.org/10.1021/acsaem.4c02465
2024
16. Simplified approach to estimate Lorenz number using experimental Seebeck coefficient for non-parabolic band
Ankit Kumar*
AIP Advances 14, 105216 (2024)
15. Probing Electron-Phonon Coupling in Honeycomb Antiferromagnet NiPS3: A Non-Magnetic Site-Dilution
Nashra Pistawala$, Ankit Kumar$, Devesh Negi, Dibyata Rout, Luminita Harnagea, Surajit Saha, and Surjeet
Singh*
$ : Equal Contributor
2D Mater. 11 (2024) 025035
2023
14. Band degeneracy, resonant level formation and low thermal conductivity in dilute In and Ga co-doped thermoelectric compound SnTe
Gaurav Jamwal, Ankit Kumar, Mohd Warish, Shruti Chakravarty, Saravanan Muthiah, Asokan Kandasami, A. Niazi
(https://arxiv.org/pdf/2305.02046)
13. Single crystal growth and properties of 2D antiferromagnet Ni1-xZnxPS3
Nashra Pistawala, Ankit Kumar, Dibyata Rout, Luminita Harnagea, and Surjeet Singh*
New Phys.: Sae Mulli 2023; 73: 1140-1144 (Conference Proceeding)
DOI: https://doi.org/10.3938/NPSM.73.1140
12. Grain boundary engineering in metavalent SnTe: A simplified approach
Navita Jakhar, Dinesh Kumar Kedia, Ankit Kumar, and Surjeet Singh* Appl. Phys. Lett. 123, 173901 (2023)
11. Enhanced thermoelectric figure of merit in defective half-Heusler ‘Nb0.83CoSb’
Kumar Saurabh, Vineet Pandey, Ankit Kumar, Prasenjit Ghosh, and Surjeet Singh
Mat. Today Phys. Volume 38, November 2023, 101236
doi.org/10.1016/j.mtphys.2023.101236
10. Band engineering and synergistic modulation doping for excellent thermoelectric performance in composite
Ti1-xNbxCoSb - Nb0.8CoSb composite
Ankit Kumar, Dinesh Kumar Kedia, Prasenjit Ghosh, and Surjeet Singh*
ACS App. Energy Mat. 06, 20, 10694 (2023)
doi.org/10.1021/acsaem.3c01888
9. Reproducible high zT in Ag2Se
Navita Jakhar, Dinesh Kumar Kedia, Ankit Kumar, Kumar Saurabh, and Surjeet Singh*
Appl. Phys. Lett. 122, 163901 (2023).
DOI: 10.1063/5.0143678
8. Structural, electronic and thermoelectric properties of SnTe with dilute co-doping of Ag and Cu
Gaurav Jamwal, Ankit Kumar, Mohd Warish, Shruti Chakravarty, Saravanan Muthiah, Asokan Kandasami, A. Niazi
Journal of Alloys and Compounds 954, 170182 (2023)
DOI: 10.1016/j.jallcom.2023.170182
2022
7. Enhancement in the thermoelectric figure of merit of ZrNiSi by doping
Kumar Saurabh, Ankit Kumar, Prasenjit Ghosh, and Surjeet Singh
Phys. Rev. Materials 6, 065401 – Published 3 June 2022.
DOI: 10.1103/PhysRevMaterials.6.065401
2021
6. Low thermal conductivity and semimetallic behavior in some TiNiSi structure-type compounds
Kumar Saurabh, Ankit Kumar, Prasenjit Ghosh, and Surjeet Singh
Phys. Rev. Materials 5, 085406 – Published 23 August 2021.
DOI: 10.1103/PhysRevMaterials.5.085406
5. Engineering crystal structure and spin-phonon coupling in Ba1-xSrxMnO3
Bommareddy Poojitha, Ankit Kumar, Anjali Rathore, Devesh Negi, and Surajit Saha,
Journal of Magnetism and Magnetic Materials 541, 168539 (2021).
DOI: https://doi.org/10.1016/j.jmmm.2021.168539
2020
4. Electron–phonon coupling in APd3O4: A= Ca, Sr, and Sr0.85Li0.15
Bommareddy Poojitha, B. H. Reddy, Aprajita Joshi, Ankit Kumar, Asif Ali, R. S. Singh, and Surajit Saha
Journal of Physics: Condensed Matter 33, 105601 (2020).
DOI: https://doi.org/10.1088/1361-648X/abcf60
3. Structural and magnetic properties of transition metal doped BaTiO3
Ankit Kumar, Bommareddy Poojitha, Anjali Rathore, and Surajit Saha
AIP Conference Proceedings 2265, 030567 (2020).
DOI: https://doi.org/10.1063/5.0016737
2. Signatures of magnetostriction and spin-phonon coupling in magnetoelectric hexagonal 15R-BaMnO3
Bommareddy Poojitha, Anjali Rathore, Ankit Kumar, and Surajit Saha,
Phys. Rev. B 102, 134436 (2020).
DOI: https://doi.org/10.1103/PhysRevB.102.134436
1. Correlations between the structural, magnetic, and ferroelectric properties of BaMO3: M = Ti1-x(Mn/Fe)x
compounds:A Raman study
Bommareddy Poojitha, Ankit Kumar, Anjali Rathore, and Surajit Saha
Journal of Alloys and Compounds 846, 156362 (2020). DOI: https://doi.org/10.1016/j.jallcom.2020.156362