Publications

Peer-reviewed article

After Joining IIT Ropar

1. S Kaur, K Garg, D Gupta, A Kafle, Dharmender, V Shukla, R Ahuja, C N Tharamani ACS Energy Letters 10, 85-93 (2024)

Unleashing High Yield Urea Production by Pulse Electrodeposition of Bi/Cu via Co-reduction of N2 and CO2

1. R L Kumawat*, V Shukla*, N K Jena, R Ahuja, and B Pathak, accepted in ACS Applied Electronic Materials

The Merits of Folded Graphene Nanogap for Reliable DNA Sequencing (Joint first and corresponding author)

1. R. Hissariya, V Shukla, N. Tripathi, T. Brumme and, S. K. Mishra, Physical Review Materials 8 (7), 074403 (2024) Exchange bias and inhomogeneous spin-states in La1.5Sm0.5NiMnO6

Before Joining IIT Ropar

1. D Singh, V Shukla*, N Khossossi, P Hyldgaard R Ahuja; Physical Review Materials 6 (11), 116001 (2022)

Stability of and conduction in single-walled Si2BN nanotubes

1. V Shukla, Y. Jiao, J-H Lee, E. Schröder, J. B. Neaton, P Hyldgaard; Physical Review X 12 (4), 041003 (2022)

A second-generation range-separated van der Waals density functional hybrid

1. C M Frostenson, E J Granhed, V Shukla, Pär AT Olsson, E Schroder, P Hyldgaard; Electronic Structure, 4, 14001 (2022)

Hard and soft materials: Putting consistent van der Waals density functionals to work

1. V Shukla, Y Jiao, C Frostenson, and P Hyldgaard; Journal of Physics: Condensed Matter 2021

vdW-DF-ahcx: a range-separated van der Waals density functional hybrid,

1. V Shukla, R L Kumawat, N K Jena, B Pathak, R Ahuja; ACS Applied Electronic Materials 2021 3, 733-742 (2021)

Electronic and Transport Properties of Bilayer Phosphorene Nanojunction: Effect of Paired Substitution Doping,

1. D Singh, V Shukla & R Ahuja; Physical Review B 102, 075444 (2020)

Optical excitations and thermoelectric properties of two-dimensional holey graphene.

1. P Hyldgaard, Y Jiao, & V Shukla; Journal of Physics: Condensed Matter 32, 393001 (2020)

Screening nature of the van der Waals density functional method: a review and analysis of the many-body physics foundation

1. N Khossossi, P Panda, D Singh, V Shukla, Y Mishra, I Essaoudi, A Ainane & R Ahuja; ACS Applied Energy Materials 3, 7306 (2020)

Rational Design of 2D h-BAs Monolayer as Advanced Sulfur hosts for High Energy Density Li-S Batteries

1. N Khossossi, V Shukla, Y Benhouria, I Essaoudi, A Ainane, & R Ahuja; Advanced Theory and Simulations 3, 2000023 (2020)

Exploring the Possibility of β-Phase Arsenic-Phosphorus Polymorph Monolayer as Anode Materials for Sodium-Ion Batteries

1. D Singh, V Shukla, N Khossossi, A Ainane & R Ahuja; Journal of Physics: Energy (Topical Review), 3, 012005 (2020)

Harnessing the unique properties of MXenes for advanced rechargeable batteries,

1. D Singh, V Shukla, P K Panda, Y K Mishra, H Rubahn, & R Ahuja; New Journal of Chemistry 44, 3777 (2020)

Carbon-Phosphide Monolayer with High Carrier Mobility and Perceptible I-V Response for Superior Gas Sensing

1. S Naqvi, V Shukla, N K Jena, W Luo & R Ahuja; Applied Materials Today 19, 100574 (2020)

Exploring two-dimensional M2NS2 (M=Ti, V) MXenes based gas sensors for air pollutants

1. V Shukla, A Grigoriev & R Ahuja; Nanoscale Advances 2, 1493 (2020)

Rectifying behavior in twisted bilayer black phosphorus nanojunctions mediated through intrinsic anisotropy

1. I H Wani, S H M Jafri, J Wärnå, A Hayat, H Li, V Shukla, A Orthaber, A Grigoriev, R Ahuja & K Leifer; Nanoscale 11, 6571 (2019)

A sub 20 nm metal-conjugated molecule junction acting as a nitrogen dioxide sensor

1. S Umrao, A K Maurya, V Shukla, A Grigoriev, R Ahuja, M Vinayak, R R Srivastava, P S Saxena, I Oh, & A Srivastava; Materials Today Bio 1, 100001 (2019)

Anticarcinogenic activity of blue fluorescent hexagonal boron nitride quantum dots: as an effective enhancer for DNA cleavage activity of anticancer drug doxorubicin

1. V Shukla, N K Jena, S R Naqvi, W Lou & R Ahuja; Nano Energy 58, 877 (2019)

Modeling High-performing Batteries with MXenes: The case of S-functionalized two-dimensional Nitride MXene Electrode

1. J Prasongkit, V Shukla, A Grigoriev & R Ahuja; Applied Surface Science 497, 143660 (2019)

Ultrahigh-sensitive gas sensors based on doped phosphorene: A First-principles investigation,

1. V Shukla, R B Araujo, N K Jena & R Ahuja; Physical Chemistry Chemical Physics 20, 22008 (2018)

Borophene’s Tryst with Stability: Exploring 2D Hydrogen Boride as Electrode for Rechargeable Batteries,

1. V Shukla, A Grigoriev, N K Jena & R Ahuja; Physical Chemistry Chemical Physics 20, 22952 (2018)

Strain controlled electronic and transport anisotropies in two-dimensional borophene sheets,

1. C Ji, A F Goncharov, V Shukla, N K Jena, D Popov, B Li, J Wang, Y Meng, V B Prakapenka, J S Smith, R Ahuja, W Yang, & H k Mao; Proceedings of the National Academy of Sciences 114, 3596 (2017)

Stability of Ar(H2)2 to 358 GPa,

1. R Gond, S S Meena, S M Yusuf, V Shukla, N K Jena, R Ahuja; S Okada, & P Barpanda; Inorganic chemistry 56, 5918 (2017)

Enabling the Electrochemical Activity in Sodium Iron Metaphosphate [NaFe(PO3)3] Sodium Battery Insertion Material: Structural and Electrochemical Insights

1. N K Jena, R B Araujo, V Shukla & R Ahuja; ACS applied materials & interfaces 9, 16148 (2017)

Borophane as a benchmate of graphene: a potential 2D material for anode of Li and Na-ion batteries

1. V Shukla, R B Araujo, N K Jena & R Ahuja; Nano Energy 41, 251 (2017)

The curious case of two dimensional Si2BN: A high-capacity battery anode material

1. V Shukla, N K Jena, A Grigoriev & R Ahuja; ACS applied materials & interfaces 9, 39945 (2017)

Prospects of Graphene–hBN Heterostructure Nanogap for DNA Sequencing,

1. V Shukla, J Wärna, N K Jena, A Grigoriev & R Ahuja; The Journal of Physical Chemistry C 121, 26869 (2017)

Toward the realization of 2D borophene based gas sensor

Manuscript under review

Manuscripts under preparation

V Shukla, P Hyldgaard; Assessment of hybrid van der Waals (vdW-DFs) functionals: band gaps of solids (Manuscript under preparation)

V Shukla, Y Jiao, Per Hyldgaard; CO adsorption puzzle: A range-separated hybrid-vdW-DF study (Under preparation)

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