Dr. Vipin Kumar

Publications

International Peer-Reviewed Journals

Corresponding authors (*)

Equally contributed: Co-first author (#)

Google Scholar

Statistics as of July 01, 2026

Total citations: <1080; h-index: 18; i10-index: 25

Under review

37. The Role of Fe-Content in Mesoporous Cobalt Ferrite Thin Films: Structure-Property-Performance Relationships of Oxygen Evolution Electrocatalysts

R. Hansen, A. K. Stief, B. Gonzalez, Vipin Kumar, W. Qingyag, and M. Einert

Journal: EcoEnergy (Wiley:John Wiley & Sons Ltd.)

Status: under review

36. Multi-Cation (High-Entropy) Doping of Mesoporous Co3O4 Thin Films with Cr, Mn, Fe, Ni, Cu, and Ag: Assessment of the Oxygen Evolution Reaction Performance

A. K. Stief, B. Gonzalez, Vipin Kumar, S. Lauterbach, L. Wagner, F. Hesse, and M. Einert

Journal: Small Structures (Wiley-VCH)

Status: under review

35. Insights into Multifunctional CaMoO₄ Cauliflower-Like Architectures for Hybrid Energy Storage and Optical Applications: an Experimental and Theoretical Study

K. Dubey, S. Dubey, M. Ansari, Vipin Kumar, V. Deshmukh, M. Gusain, A. Bassi, C. Sahu, M. Nayak, K. Peta, K. Singh

Journal: Nanoscale (Royal Soc. Chem.)

Status: under review

34. The Critical Role of Water Molecules in the Alkaline Oxygen Reduction Reaction for Energy Application

Vipin Kumar*, P. Tereshchuk, R. K. Singh, D. R. Dekel, and A. Natan

Journal: The Journal of Physical Chemistry C (ACS)

Status: under review (revision submitted)

Published

33. ψ-BCN Monolayers as Emerging 2D Materials: Effects of Hydrogen Passivation on Structure, Stability, and Functionality

D. Azhikodan, D.R. Roy, M. Einert, S. Thomas and Vipin Kumar*

Journal: Physical Chemistry Chemical Physics (Royal Soc. Chem.), Volume 28, Year 2026, Pages 13446-13458

URL: https://doi.org/10.1039/D6CP00571C

doi: 10.1039/D6CP00571C

32. Metastable ordered mesoporous h‐LuFeO3 thin films prepared by soft-templating: optical, electronic, and magnetic properties

S. Christian and R. Christian, Vipin Kumar, D. Igor and E. Marcus, B. Torsten, and S. Bernd

Journal: Advanced Materials Interfaces (Wiley-VCH GmbH), Volume 13, Year 2026, Pages e00639

URL: https://doi.org/10.1002/admi.202500639

doi: 10.1002/admi.202500639

31. Effect of sputter-coated platinum on the photostability of nanoporous sol-gel CuO thin film photocathodes

Z. Hongyang, K. Mahshad, H. Frederike, W. Qingyang, A. Hofmann, Z. Yaohao, T. Chuanmu, M. Roland and Vipin Kumar* and E. Marcus

Journal: Nanoscale Advances (Royal Soc. Chem.), Year 2026, Online ISSN: 2516-0230. [I.F. 6.3]

URL: https://doi.org/10.1039/D6NA00111D

doi: 10.1039/D6NA00111D

30. First-principles and machine learning investigation of pressure-induced elastic, electronic, and magnetic behavior in FeZrTiX (X = Al, Si) heusler alloys

G. Dipti, RJ Gadha, D. Shubha, Vipin Kumar, S. Archana, RD Eithiraj, P. Gitanjali, N. K. Gaur

Journal: Physical Chemistry Chemical Physics (Royal Soc. Chem.), Volume 28, Year 2026, Pages 11920-11934

URL: https://doi.org/10.1039/D6CP00025H

doi: 10.1039/D6CP00025H

29. Experimental and DFT analysis of antisite disorder and Griffiths phase in Dy2CoMnO6: structural, electronic, and magnetic insights

S. Dubey, Vipin Kumar*, K. Dubey, K. Singh, M. Einert, D. Gawande, RK Sharma, G. Pagare, and NK Gaur

Journal: Journal of Materials Chemistry C (Royal Soc. Chem.), Volume 13, Year 2025, Pages 10282-10301

URL: https://doi.org/10.1039/D5TC00299K

doi: 10.1039/D5TC00299K

28. Improved durability of Ti3C2Tz at potentials above the reversible hydrogen electrode by tantalum substitution

B. Favelukisand, S. Chakrabartty, Vipin Kumar, S. Kim, A.El-Zoka, M. Krämer, D., Baptiste, N. Eliaz, A. Natan, M. Sokol, B. Rosen

Journal: Advanced Functional Materials (Wiley-VCH GmbH), Volume 34, Year 2024, Pages 10

URL: https://doi.org/10.1002/adfm.202309749

doi: 10.1002/adfm.202309749

27. Metal-free advanced energy materials for the oxygen reduction reaction in anion-exchange membrane fuel cells

R. Singh, J. Douglin, Vipin Kumar, P. Tereshchuk, P. Santori, E. Ferreira, G. Jerkiewicz, P. Ferreira, A. Natan, F. Jaouen, D. Dekel

Journal: Applied Catalysis B: Environment and Energy (Elsevier Sci.), Volume 357, Year 2024, Pages 124319

URL: https://doi.org/10.1016/j.apcatb.2024.124319

doi: 10.1016/j.apcatb.2024.124319

26. Tailoring the structural and electro-optical properties of a visible-light emitting BaZrO3 photocatalyst: integrating DFT and

comprehensive experimental analysis

S. Dubey, Vipin Kumar*, K. Dubey, C. Sahu, A. Modi, U. Gautam, R. Sharma, F. Haque, N. Gaur

Journal: Nanoscale (Royal Soc. Chem.), Volume 16, Year 2024, Pages 18086-18107

URL: https://doi.org/10.1039/D4NR00517A

doi: 10.1039/D4NR00517A

25. Sensing applications of GeBi nanosheet for environmentally toxic/non-toxic gases: Insights from density functional theory calculations

Vipin Kumar*, D. R. Roy

Journal: Applied Surface Science (Elsevier Sci.), Volume 606, Year 2022, Pages 154741

URL: http://dx.doi.org/10.1016/j.apsusc.2022.154741

doi: 10.1016/j.apsusc.2022.154741

24. Enhancement of gas sensing by doping of transition metal in two-dimensional As2C3 nanosheet: A density functional theory investigation

Vipin Kumar*, Jung Jaehoon

Journal: Applied Surface Science (Elsevier Sci.), Volume 599, Year 2022, Pages 153941

URL: http://dx.doi.org/10.1016/j.apsusc.2022.153941

doi: 10.1016/j.apsusc.2022.153941

23. Rational design of selenium inserted 1T/2H mixed-phase molybdenum disulfide for energy storage and pollutant degradation applications

K. Namsheer, S. Thomas, A. Sharma, S.A. Thomas, K.A. Sree, Vipin Kumar, A. Gagliardi, A. Aravind, C. Rout.

Journal: Nanotechnology (IOP), Volume 33, Issue 44, Year 2022, Pages 445703

URL: http://dx.doi.org/10.1088/1361-6528/ac80ca

doi: 10.1088/1361-6528/ac80ca

22. Sonohydrothermal-assisted ZnS nanocrystals for improved structural, electronic, and optical properties: Experimental and ab initio methods

R. Prudhvi, S. Lahiri, D. Tripathi, Vipin Kumar, R. Thangavel

Journal: Materials Science and Engineering B (Elsevier Sci.), Volume 286, Year 2022, Pages 115983

URL: http://dx.doi.org/10.1016/j.mseb.2022.115983

doi: 10.1016/j.mseb.2022.115983

21. Two-Dimensional lithium fluoride (LiF) as an efficient hydrogen storage material

K. Rajput, Vipin Kumar# (Co-first author), D. R. Roy

Journal: Applied Surface Science (Elsevier Sci.), Volume 581, Year 2022, Pages 151776

URL: http://dx.doi.org/10.1016/j.apsusc.2021.151776

doi: 10.1016/j.apsusc.2021.151776

20. Two-dimensional Janus group-III ternary chalcogenide monolayer compounds B2XY, Al2XY, and BAlX2 (X, Y = S, Se, Te) with high carrier mobilities

Vipin Kumar, J. Jaehoon

Journal: Bulletin of the Korean Chemical Society (Wiley-VCH GmbH), Volume 43, Issue 1, Year 2022, Pages 138-146

URL: http://dx.doi.org/10.1002/bkcs.12440

doi: 10.1002/bkcs.12440

19. Electric field-induced band modulation of predicted ternary 2D MXC3 [M:X = As:Ge, Sb:Sn and Bi:Pb] with strong stability and optical properties

Vipin Kumar*, K. Rajput, D. R. Roy

Journal: Carbon (Elsevier Sci.), Volume 172, Year 2021, Pages 791-803

URL: http://dx.doi.org/10.1016/j.carbon.2020.10.082

doi: 10.1016/j.carbon.2020.10.082

18. First-principles calculations of SiBi nanosheets as sensors for oxygen-containing gases

Vipin Kumar*, A. Bano, D. R. Roy.

Journal: ACS Applied Nano Materials, Volume 4, Year 2021, Pages 2440-2451

URL: https://doi.org/10.1021/acsanm.0c02998

doi: 10.1021/acsanm.0c02998

17. 2D Sb2C3 monolayer: A promising material for the recyclable gas sensor for environmentally toxic nitrogen-containing gases (NCGs)

Vipin Kumar*, A. Azhikodan, D. R. Roy

Journal: Journal of Hazardous Materials (Elsevier Sci.), Volume 405, Year 2021, Pages 124168

URL: http://dx.doi.org/10.1016/j.jhazmat.2020.124168

doi: 10.1016/j.jhazmat.2020.124168

16. Ca2C MXene monolayer as a superior anode for metal-ion batteries

K. Rajput, Vipin Kumar, S. Thomas, M. A. Zaeem, D. R. Roy

Journal: 2D Materials (IOP), Volume 8, Issue 3, Year 2021, Pages 035015

URL: https://doi.org/10.1088/2053-1583/abf233

doi: 10.1088/2053-1583/abf233

15. Hydrogen-induced tunable electronic and optical properties of a two-dimensional penta-Pt2N4 monolayer

Vipin Kumar, A. Dey, S. Thomas, A. Zaeem, D. R. Roy

Journal: Physical Chemistry Chemical Physics (Royal Soc. Chem.), Volume 23, Year 2021, Pages 10409-10417

URL: https://doi.org/10.1039/D1CP00681A

doi: 10.1039/D1CP00681A

14. Using density functional theory to correlate charge transport properties with gas sensing by organic nanowires

D. Chakraborty, Vipin Kumar, K. Syed, P. Priya

Journal: ACS Applied Nano Materials, Volume 4, Year 2021, Pages 5972-5980

URL: https://doi.org/10.1021/acsanm.1c00846

doi: 10.1021/acsanm.1c00846

13. The interaction of two-dimensional P2SiS nanosheet with environmental toxic NCG molecules for sensor application: A DFT study

Vipin Kumar*, A. Bano, K. Rajput, D. R. Roy

Journal: Sensors and Actuators A: Physical (Elsevier Sci.), Volume 322, Year 2021, Pages 112608

URL: https://doi.org/10.1016/j.sna.2021.112608

doi: 10.1016/j.sna.2021.112608

12. Strain-induced electronic, stability and enhancement of thermoelectric performance of 2D Si2C3 monolayer: An emerging material for renewable energy

Vipin Kumar*, D. R. Roy

Journal: Physica E: Low-dimensional Systems and Nanostructures (Elsevier Sci.), Volume 132, Year 2021, Pages 114769

URL: https://doi.org/10.1016/j.physe.2021.114769

doi: 10.1016/j.physe.2021.114769

11. Exploring thermoelectric properties and stability of half-Heusler PtXSn (X = Zr, Hf) semiconductors: A first principle investigation

S. Khandy, K. Kaur, S. Dhiman, J. Singh, Vipin Kumar*

Journal: Computational Materials Science (Elsevier Sci.), Volume 188, Year 2021, Pages 110232

URL: http://dx.doi.org/10.1016/j.commatsci.2020.110232

doi: 10.1016/j.commatsci.2020.110232

10. Strain-induced band modulation and excellent stability, transport and optical properties of penta-MP2 (M = Ni, Pd, and Pt) monolayers

Vipin Kumar*, D. R. Roy

Journal: Nanoscale Advances (Royal Soc. Chem.), Volume 2, Year 2020, Pages 4566-4580

URL: https://doi.org/10.1039/D0NA00503G

doi: 10.1039/D0NA00503G

09. Monolayer Bi2C3: A promising sensor for environmentally toxic NCGs with high sensitivity and selectivity

Vipin Kumar*, D. R. Roy

Journal: Applied Surface Science (Elsevier Sci.), Volume 534, Year 2020, Pages 147609

URL: http://dx.doi.org/10.1016/j.apsusc.2020.147609

doi: 10.1016/j.apsusc.2020.147609

08. Two-Dimensional Boron-Phosphorus Monolayer for Reversible NO2 Gas Sensing

S. Thomas, Vipin Kumar# (Co-first author), D. R. Roy, M. Zaeem

Journal: ACS Applied Nano Materials, Volume 3, Year 2020, Pages 10073-10081

URL: https://doi.org/10.1021/acsanm.0c02072

doi: 10.1021/acsanm.0c02072

07. Heterobilayer CaS/CaSe: A promising sensor for environmental toxic NO2 gas with high selectivity and sensitivity

K. Rajput, Vipin Kumar, D. R. Roy

Journal: Applied Surface Science (Elsevier Sci.), Volume 528, Year 2020, Pages 146996

URL: http://dx.doi.org/10.1016/j.apsusc.2020.146996

doi: 10.1016/j.apsusc.2020.146996

06. Single-layer stanane as potential gas sensor for NO2, SO2, CO2 and NH3 under DFT investigation

Vipin Kumar, D. R. Roy

Journal: Physica E: Low-dimensional Systems and Nanostructures (Elsevier Sci.), Volume 110, Year 2019, Pages 100-106

URL: https://doi.org/10.1016/j.physe.2019.02.001

doi: 10.1016/j.physe.2019.02.001

05. Structure, bonding, stability, electronic, thermodynamic and thermoelectric properties of six different phases of indium nitride

Vipin Kumar, D. R. Roy

Journal: Journal of Materials Science (Springer), Volume 53, Year 2018, Pages 8302-8313

URL: https://doi.org/10.1007/s10853-018-2176-9

doi: 10.1007/s10853-018-2176-9

04. Co-Tetraphenylporphyrin (co-TPP) in TM-TPP (TM = Fe, Co, Ni, Cu, and Zn) series: a new optical material under DFT

E Shah, Vipin Kumar, B. Sharma, K. Rajput, V. Chaudhary, D. R. Roy

Journal: Journal of Molecular Modeling (Springer), Volume 24, Year 2018, Pages 9

URL: http://dx.doi.org/10.1007/s00894-018-3783-8

doi: 10.1007/s00894-018-3783-8

03. Electronic and optical properties of BaTiO3 across tetragonal to cubic phase transition: An experimental and theoretical investigation

V. Mishra, A. Sagdeo, Vipin Kumar, M. Warshi, H. Rai, S. Saxena, D. R. Roy, R. Kumar, P.R. Sagdeo

Journal: Journal of Applied Physics (APS), Volume 122, Year 2017, Pages 065105

URL: http://dx.doi.org/10.1063/1.4997939

doi: 10.1063/1.4997939

02. 2D and bulk h-MgSe materials from MgmSen (m, n = 1-3) clusters: Density functional investigation

Vipin Kumar, M. Shaikh, D. R. Roy

Journal: Journal of Alloys and Compounds (Elsevier Sci.), Volume 687, Year 2016, Pages 130-134

URL: https://doi.org/10.1016/j.jallcom.2016.06.059

doi: 10.1016/j.jallcom.2016.06.059

01. DFT investigation on A4B4 (A=Cu, Ag; B=As, Sn) metal-semiconductor alloy clusters for potential nanomaterials

Vipin Kumar, E.V. Shah, D. R. Roy

Journal: Physica E: Low-dimensional Systems and Nanostructures (Elsevier Sci.), Volume 68, Year 2015, Pages 224-231

URL: https://doi.org/10.1016/j.physe.2014.12.020

doi: 10.1016/j.physe.2014.12.020

International Conference Proceeding Papers

1. DFT study on band gap tunability in boron doped monolayer SiC

Vipin Kumar, D. R. Roy

Publication date: 2018