Magnetism
Monte Carlo simulation
Machine Learning
Molecular Dynamics
Study the properties for industrial applications
(a) Binding energy
(b) Elastic constant and elasticity
(c) Corrosion
(d) Quantum capacitance
18
Scopus Publications
317
Scholar Citations
9
Scholar h-index
9
Scholar i10-index
Scopus Publications
Fast interlayer energy transfer from the lower bandgap MoS2 to the higher bandgap WS2 Gayatri, Mehdi Arfaoui, Debashish Das, Tomasz Kazimierczuk, Sabrine Ayari, Natalia Zawadzka, Takashi Taniguchi, Kenji Watanabe, Adam Babiński, Saroj K. Nayak, Maciej R. Molas, Arka Karmakar Npj 2d Materials and Applications, 2026 Energy transfer (ET) is a dipole-dipole interaction, mediated by the virtual photon. Traditionally, ET happens from the higher (donor) to lower bandgap (acceptor) material. However, in some rare instances, ET can happen from the lower-to-higher bandgap material, depending on the strong overlap between the acceptor photoluminescence (PL) and the donor absorption spectra. In this work, we report an ET process from the lower bandgap MoS 2 to the higher bandgap WS 2 , due to a near ‘resonant’ overlap between the MoS 2 B and WS 2 A excitonic levels. Changing the MoS 2 bandgap from direct-to-indirect by increasing the layer number results in a reduced ET rate, evidenced by the quenching of the WS 2 PL emission. Our work shows at 300 K, the ET timescale of ~33 fs is faster than the reported thermalization of the MoS 2 excitonic intervalley scattering (K ↔ K’) time and competing with the ultrafast charge transfer timescale. Thus, allowing us to open a new direction in understanding the competing inter/intralayer processes.
CsPbBr3 Perovskite Nanocrystals for Photo-Electrochemical Supercapacitor Applications Anish Kumar Nayak, Gopinath Sahoo, Parul, Surajit Mondal, Debashish Das, Nimai Mishra, Saroj Kumar Nayak ACS Applied Nano Materials, 2026 Photosupercapacitors have been developed to enhance specific capacitance and also for constructing self-charging supercapacitors. As lead-halide perovskite nanocrystals (PNCs) possess better properties than their bulk structure due to unique optoelectronic properties, they can be considered a suitable electrode material for photosupercapacitor applications. In this work, CsPbBr3 is prepared and its electrochemical performance under incident UV radiation is investigated. CsPbBr3 PNCs achieved a high specific capacitance of 1154 mF g–1 (69.24 mF cm–2) at 5 mV s–1, which is increased by 4% (1200 mF g–1) after UV light exposure. Furthermore, the fabricated symmetric device is measured to have a high energy density of 7.1 mW h kg–1 at 843.5 mW kg–1 of power density after UV light exposure with 80% capacitance retention. The symmetric device showed a 10% increase in the capacitance values upon introduction of UV light. The increased specific capacitance is found to be a consequence of the increase in charge-carrier concentration, which improves ion insertion/absorption compared to the dark condition and is shown through analysis of the UV absorption spectra and ab initio calculations performed through density functional theory. Hence, CsPbBr3 nanocrystals exhibit enhanced electrochemical performance under UV light and can be a viable candidate for next-generation photosupercapacitor applications.
Enhanced formulation of precision probiotics through active machine learning Anweshit Panda, Manaswani Adhikari, Sourya Subhra Nasker, Anish K Nayak, Debashish Das, Saroj K Nayak, Sita K Dash, Sasmita Nayak Biology Methods and Protocols, 2026 The human gut microbiome is crucial to health, with dysbiosis increasingly linked to disease. Precision probiotics offer a promising approach to restoring microbial balance, but ensuring probiotic viability through gastrointestinal transit remains a challenge. This study applies an advanced active machine learning (ML) approach to predict how excipients affect the growth of Lactobacillus plantarum, a commonly used probiotic. State-of-the-art experiments were carried out to complement the ML study. Starting with five known excipient-probiotic interactions, we apply active ML over three rounds to predict the effects of 116 excipients, iteratively refining model certainty and accuracy. Five ML models—neural networks, gradient boosting, logistic regression, random forest, and support vector machines—were trained and evaluated, with the final model achieving certainty levels close to 90%. Unlike previous methods, which retrained new models per iteration, our approach continuously optimized a single model, enhancing prediction stability and reducing uncertainty spread. These results highlight the potential of active ML to support accurate excipient selection in probiotic formulations.
K+-Triggered Defect Engineering and Proton-Coupled Storage in V2O5·nH2O for Advanced Zn-Ion Thin-Film and Microbatteries Jingli Luo, Sanat Nalini Paltasingh, Bastola Narayan, Yijia Zhu, Debashish Das, Shuhui Li, Firoz Alam, Subhra R. Pattanayak, Sijin Liu, Tharangattu N. Narayanan, Georgios Nikiforidis, Gopinathan Sankar, Ivan P. Parkin, Saroj Kumar Nayak, Buddha Deka Boruah Advanced Science, 2026 The increasing demand for wearable electronics, point‐of‐care diagnostics, and integrated microsystems necessitates thin‐film and microbatteries that combine high energy density, fast kinetics, and intrinsic safety. In this work, we develop Zn‐based thin‐film batteries (Zn‐TFBs) and microbatteries (Zn‐MBs) using K + ‐pre‐intercalated V 2 O 5 ·nH 2 O cathodes and reveal a fundamentally distinct charge‐storage mechanism. Contrary to the conventional paradigm where metal‐ion pre‐intercalation merely enlarges interlayer spacing, K + incorporation induces interlayer contraction accompanied by substantial oxygen‐vacancy generation and mixed‐valence (V 4 + /V 5 + ) formation. These coupled lattice and electronic modulations activate proton‐dominated transport pathways, enabling cooperative H + /Zn 2 + co‐storage and markedly accelerated reaction kinetics. Density functional theory calculations further confirm that the enhanced electrochemical behavior cannot be explained by interlayer expansion alone, but originates from defect‐mediated proton conduction and vacancy‐stabilized redox centers. Benefiting from this defect‐engineered proton‐Zn 2 + synergistic storage, the K + ‐modified V 2 O 5 ·nH 2 O cathode delivers an areal capacity of 200.9 µAh cm − 2 and an areal energy of 150 µWh cm − 2 at 50 µA cm − 2 in Zn‐TFBs, together with a high areal capacity of 49 µAh cm − 2 in Zn‐MBs. This study establishes K + ‐triggered defect and valence‐state engineering as a powerful strategy to regulate proton‐coupled charge storage in hydrated vanadium oxides, opening a viable pathway toward high‐energy Zn‐based energy‐storage systems.
Ligand Hole Driven Metal-Insulator Transition Exemplified in a Layered Transition Metal Oxide Arindam Sarkar, Hrishit Banerjee, Debashish Das, Prashant Singh, Aftab Alam Chemistry of Materials, 2025 The interplay of cooperative Jahn–Teller (JT) distortions and charge-disproportionation (CD) with a strong electronic correlation in transition metal oxides leads to structural symmetry breaking. Both JT and CD often manifest in the form of significant modifications in electronic and structural properties such as band splitting, metal–insulator transitions (MIT), and enhanced electron lattice interactions. Notably, the charge-disproportionation is a key electronic feature that drives the MIT. We demonstrate and quantify it using first-principles calculations combining density-functional theory, dynamical mean-field theory, and spin–lattice Monte Carlo simulations. Taking Ca2FeMnO6 as a prototypical example of a correlated oxide, our ab initio study shows that MIT in Ca2FeMnO6 arises from the partial localization of oxygen ligand holes at alternate Fe sites that control both charge and magnetic ordering. Interestingly, the band gap was found to be fundamentally controlled by the strength of the charge-transfer energy and not by the Mott–Hubbard interactions. The novel physics and insights presented in this work reveal promising routes for tuning the electronic functionality in transition-metal oxides.
Corrosion inhibition properties of graphene and reduced graphene oxide on aluminum surface: a comparative analysis from experimental and theoretical studies Balaram Polai, Aiswarya Samal, Satyajit Ratha, Debashish Das, Saroj Kumar Nayak Nano Express, 2025 The corrosion protection of metals has long been considered a key challenge for researchers at both industrial and academic levels. While numerous state-of-the-art corrosion protection techniques exist for metals like copper, iron, steel, and zinc, there are few reports on preventing aluminum (Al) from corrosion. This study introduces an innovative method for protecting aluminum from corrosion through the anodic electrochemical deposition of reduced graphene oxide (rGO) coatings. The anti-corrosion performance of rGO-coated aluminum (Al/rGO) substrates was examined in 1.0 M hydrochloric acid (HCl) and 1.0 M sodium chloride (NaCl) solutions, utilizing electrochemical techniques. The in situ reduction of the graphene oxide (GO) coatings has shown significantly enhanced corrosion protection for aluminum compared to uncoated surfaces. The experimental findings demonstrate that rGO coatings protect against corrosive substances due to their hydrophobicity, diffusion site blockage, and tortuous diffusion path mechanisms on the aluminum surface. Additionally, to gain further insight into this study, with the help of density functional theory (DFT), analysis has revealed the weaker binding of corrosive species, such as NaCl−, HCl molecules, and Cl− ions with graphene- as well as rGO-coated Al surfaces (Al/Gr and Al/rGO) in comparison to their stronger binding with the uncoated Al surface. The diffusion energy barrier study has shown that the corrosive species must go through a high diffusion energy barrier to react with Al/Gr and Al/rGO surfaces compared to the bare Al surface. The combined experimental and theoretical studies found that rGO strongly binds with the Al surface, thus providing favorable corrosion protection for the bare Al surface.
Thermal and Electrical Conductivity of Copper-Graphene Heterosystem: An Effect of Strain and Thickness Aiswarya Samal, Anoop Kumar Kushwaha, Debashish Das, Mihir Ranjan Sahoo, Nicholas A. Lanzillo, Saroj Kumar Nayak Advanced Engineering Materials, 2023 Copper‐graphene (Cu/Gr) composite carries high thermal (κ) and electrical (σ) conductivities compared with pristine copper film/surface. For further improvement, strain is applied (compressive and tensile) and thickness is changed (of both copper and graphene). It is observed that electronic thermal conductivity (κe) and σ enhance from 320.72 to 869.765 W mK−1 and 5.28 × 107 to 23.01 × 107 S m−1, respectively, by applying 0.20% compressive strain. With the increase in copper thickness (three to seven layers) in Cu(111)/single‐layer‐graphene (SLG) heterosystem, κe increases from 320.72 to 571.81 W mK−1 while electrical resistivity (ρ ∝ (1/σ)) decreases from 0.189 × 10−7 to 0.117 × 10−7 Ωm. Furthermore, with the increase in graphene thickness (one to four layers) in seven‐layer Cu(111)/multilayer‐graphene (MLG) heterosystem, κe enhances upto 126% while ρ decreases upto 70% compared with the three‐layer Cu(111)/SLG. A large available state near Fermi level (of Cu/Gr heterosystem) offers the conduction of more electrons from valence to conduction bands. The increasing thickness broadens this state and enhances conduction electrons. The electron localization function decreases with increasing thickness, suggesting electrons are delocalized at copper‐graphene junction, resulting in an increase of free electrons that enhance κe and σ. Herein, it is useful in advancing the thermal management of electronic chips and in applying hybrid copper‐graphene interconnects.
Functional Pyromellitic Diimide as a Corrosion Inhibitor for Galvanized Steel: An Atomic-Scale Engineering Anoop Kumar Kushwaha, Mihir Ranjan Sahoo, Mausumi Ray, Debashish Das, Suryakanta Nayak, Apurba Maity, Kuntal Sarkar, Amar Nath Bhagat, Atanu Ranjan Pal, Tapan Kumar Rout, Saroj Kumar Nayak ACS Omega, 2022 Corrosion of metal/steel is a major concern in terms of safety, durability, cost, and environment. We have studied a cost-effective, nontoxic, and environmentally friendly pyromellitic diimide (PMDI) compound as a corrosion inhibitor for galvanized steel through density functional theory. An atomic-scale engineering through the functionalization of PMDI is performed to showcase the enhancement in corrosion inhibition and strengthen the interaction between functionalized PMDI (F-PMDI) and zinc oxide (naturally existing on galvanized steel). PMDI is functionalized with methyl/diamine groups (inh1 (R = −CH3, R′ = −CH3), inh2 (R = −CH3, R′ = −CH2CH2NH2), and inh3 (R = −C6H3(NH2)2, R′ = −CH2CH2NH2). The corrosion inhibition parameters (e.g., orbital energies, electronegativity, dipole moment, global hardness, and electron transfer) indicate the superior corrosion inhibition performance of inh3 (inh3 > inh2 > inh1). Inh3 (∼182.38 kJ/mol) strongly interacts with ZnO(101̅0) compared to inh2 (∼122.56 kJ/mol) and inh1 (∼119.66 kJ/mol). The superior performance of inh3 has been probed through charge density and density of states. Larger available states of N and H (of inh3) interact strongly with Zn and Osurf (of the surface), respectively, creating N–Zn and H–Osurf bonds. Interestingly, these bonds only appear in inh3. The charge accumulation on Osurf, and depletion on H(s), further strengthens the bonding between inh3 and ZnO(101̅0). The microscopic understanding obtained in this study will be useful to develop low-cost and efficient corrosion inhibitors for galvanized steel.
Effect of Pd alloying on structural, electronic and magnetic properties of L10Fe-Ni Prashant Singh, Debashish Das, Duane D Johnson, Raymundo Arroyave, Aftab Alam Journal of Physics Condensed Matter, 2021 We present a systematic study of the effect of Pd-alloying on phase stability, electronic structure, and elastic properties in L10 Fe–Ni using density-functional theory. Being from the same group of the periodic table, Pd is the best candidate for chemical alloying. The Fe–Ni/Fe–Pd/Ni–Pd bond-length increases with increasing Pd-concentration, which weakens the hybridization between low lying energy states below Fermi-level. The reduced hybridization decreases the relative thermodynamic stability of L10 Fe(Ni1−x Pd x ) until x = 0.75. Beyond this concentration, the relative stability gets enhanced, which is attributed to a unique change in the lattice distortion (c/a). The elastic properties show a non-monotonous behavior as a function of x, which is again due to a specific change-over in the uniaxial strain. We found that Pd alloying increases the local Fe moment and structural anisotropy of L10 FeNi, which are important for applications such as microwave absorption, refrigeration systems, recording devices, imaging and sensors. We believe that the present study for the chemical alloying effect can provide critical insights toward the understanding of electronic-structure and elastic behavior of other technologically important materials.
Tailoring the electronic structure and magnetic properties of pyrochlore Co2Ti1-x Gex O4: A GGA + U ab initio study Sayandeep Ghosh, Sobhit Singh, Debashish Das, Subhradip Ghosh, Pankaj Kumar Mishra, Subhash Thota Journal of Physics Condensed Matter, 2021 We report the electronic structure and magnetic properties of Co2Ti1−x Ge x O4 (0 ⩽ x ⩽ 1) spinel by means of the first-principle methods of density functional theory involving generalized gradient approximation along with the on-site Coulomb interaction (U eff) in the exchange-correlation energy functional. Special emphasis has been given to explore the site occupancy of Ge atoms in the spinel lattice by introducing the cationic disorder parameter (y) which is done in such a way that one can tailor the pyrochlore geometry and determine the electronic/magnetic structure quantitatively. For all the compositions (x), the system exhibits weak tetragonal distortion (c/a ≠ 1) due to the non-degenerate d z 2 and d x 2 − y 2 states (e g orbitals) of the B-site Co. We observe large exchange splitting (ΔEX ∼ 9 eV) between the up and down spin bands of t 2g and e g states, respectively, of tetrahedral and octahedral Co2+ (4A2(g)(F)) and moderate crystal-field splitting (ΔCF ∼ 4 eV) and the Jahn–Teller distortion (ΔJT ∼ 0.9 eV). These features indicate the strong intra-atomic interaction which is also responsible for the alteration of energy band-gap (1.7 eV ⩽ E g ⩽ 3.3 eV). The exchange interaction (J BB ∼ −4.8 meV, for (x, y) = (0.25, 0)) between the Co2+ dominates the overall antiferromagnetic behaviour of the system for all ‘x’ as compared to J AA (∼−2.2 meV, for (x, y) = (0.25, 0)) and J AB (∼−1.8 meV, for (x, y) = (0.25, 0)). For all the compositions without any disorderness in the system, the net ferrimagnetic moment (Δμ) remains constant, however, increases progressively with increasing x due to the imbalance of Co spins between the A- and B-sites.
Enhanced Formulation of Precision Probiotics through Active Machine Learning A Panda, M Adhikari, SS Nasker, AK Nayak, D Das, SK Nayak, SK Dash, ... Biology Methods and Protocols, bpag007 , 2026 2026
Fast interlayer energy transfer from the lower bandgap MoS 2 to the higher bandgap WS 2 Gayatri, M Arfaoui, D Das, T Kazimierczuk, S Ayari, N Zawadzka, ... npj 2D Materials and Applications , 2026 2026
Ligand Hole Driven Metal–Insulator Transition Exemplified in a Layered Transition Metal Oxide AA Arindam Sarkar, Hrishit Banerjee, Debashish Das, Prashant Singh Chemistry of Materials , 2025 2025 Citations: 3
Fast Interlayer Energy Transfer from the Lower Bandgap MoS2 to the Higher Bandgap WS2 M Arfaoui, D Das, T Kazimierczuk, S Ayari, N Zawadzka, T Taniguchi, ... arXiv preprint arXiv:2504.13318 , 2025 2025
Corrosion inhibition properties of graphene and reduced graphene oxide on aluminum surface: a comparative analysis from experimental and theoretical studies B Polai, A Samal, S Ratha, D Das, SK Nayak Nano Express 6 (1), 015024 , 2025 2025 Citations: 10
Colossal Stability of SiB 11 (BO) 12 − : An Implication as Potential Electrolyte in High‐Voltage Alkali‐ion Battery A Kumar Kushwaha, S Soumya Jena, M Ranjan Sahoo, D Das, ... ChemPhysChem 24 (18), e202300032 , 2023 2023 Citations: 2
Ligand hole driven metal-insulator Transition in Ca FeMnO A Sarkar, D Das, P Singh, A Alam arXiv preprint arXiv:2302.01545 , 2023 2023
Thermal and Electrical Conductivity of Copper‐Graphene Heterosystem: An Effect of Strain and Thickness A Samal, AK Kushwaha, D Das, MR Sahoo, NA Lanzillo, SK Nayak Advanced Engineering Materials , 2023 2023 Citations: 21
Functional pyromellitic diimide as a corrosion inhibitor for galvanized steel: An Atomic-Scale Engineering AK Kushwaha, MR Sahoo, M Ray, D Das, S Nayak, A Maity, K Sarkar, ... ACS omega 7 (31), 27116-27125 , 2022 2022 Citations: 5
Effect of Pd alloying on structural, electronic and magnetic properties of L1 0 Fe–Ni P Singh, D Das, DD Johnson, R Arroyave, A Alam Journal of Physics: Condensed Matter 33 (15), 154003 , 2021 2021 Citations: 3
Tailoring the electronic structure and magnetic properties of pyrochlore Co 2 Ti 1− x Ge x O 4 : a GGA + U ab initio study S Ghosh, S Singh, D Das, S Ghosh, PK Mishra, S Thota Journal of Physics: Condensed Matter 33 (14), 145504 , 2021 2021 Citations: 6
Conical order, magnetic compensation, and sign reversible exchange bias in spinel structured compounds: A Monte Carlo study D Das, A Alam Physical Review Materials 5 (4), 044404 , 2021 2021 Citations: 16
Lattice Dynamics and Electron–Phonon Coupling in Lead-Free Cs 2 AgIn 1– x Bi x Cl 6 Double Perovskite Nanocrystals D Manna, J Kangsabanik, TK Das, D Das, A Alam, A Yella The Journal of Physical Chemistry Letters 11 (6), 2113-2120 , 2020 2020 Citations: 108
Exotic multiferroic properties of spinel structured compounds: A Monte Carlo Study D Das, A Alam arXiv preprint arXiv:2002.02180 , 2020 2020
Site Occupancies and Their Effects on the Physical Properties of Spinel: An Ab Initio Study D Das, S Ghosh physica status solidi (b) 255 (8), 1800025 , 2018 2018 Citations: 2
Site occupancies and their effects on the physical properties of spinel : an {\it ab initio} study D Das, S Ghosh arXiv preprint arXiv:1704.02102 , 2017 2017
First-principles investigations into the thermodynamics of cation disorder and its impact on electronic structure and magnetic properties of spinel Co (Cr1–x Mn x) 2O4 D Das, S Ghosh Journal of Physics: Condensed Matter 29 (5), 055805 , 2017 2017 Citations: 12
Effect of Fe doping in the structural, electronic and magnetic properties of CoCr 2 O 4 : insights from ab initio calculations D Das, S Ganguly, B Sanyal, S Ghosh Materials Research Express 3 (10), 106106 , 2016 2016 Citations: 11
Systematic analysis of structural and magnetic properties of spinel CoB 2 O 4 (B = Cr, Mn and Fe) compounds from their electronic structures RBSG Debashish Das J. Phys.: Condens. Matter 28, 446001 , 2016 2016 Citations: 60
MOST CITED SCHOLAR PUBLICATIONS
Lattice Dynamics and Electron–Phonon Coupling in Lead-Free Cs 2 AgIn 1– x Bi x Cl 6 Double Perovskite Nanocrystals D Manna, J Kangsabanik, TK Das, D Das, A Alam, A Yella The Journal of Physical Chemistry Letters 11 (6), 2113-2120 , 2020 2020 Citations: 108
Systematic analysis of structural and magnetic properties of spinel CoB 2 O 4 (B = Cr, Mn and Fe) compounds from their electronic structures RBSG Debashish Das J. Phys.: Condens. Matter 28, 446001 , 2016 2016 Citations: 60
Density functional theory based comparative study of electronic structures and magnetic properties of spinel ACr2O4 (A = Mn, Fe, Co, Ni) compounds DDS Ghosh Journal of Physics D: Applied Physics 48, 42 , 2015 2015 Citations: 41
Thermal and Electrical Conductivity of Copper‐Graphene Heterosystem: An Effect of Strain and Thickness A Samal, AK Kushwaha, D Das, MR Sahoo, NA Lanzillo, SK Nayak Advanced Engineering Materials , 2023 2023 Citations: 21
Low temperature neutron diffraction studies on Co (Cr 1− x Fe x) 2 O 4 (x= 0.05 and 0.075) R Kumar, R Padam, D Das, S Rayaprol, V Siruguri, D Pal RSC Advances 6 (96), 93511-93518 , 2016 2016 Citations: 17
Conical order, magnetic compensation, and sign reversible exchange bias in spinel structured compounds: A Monte Carlo study D Das, A Alam Physical Review Materials 5 (4), 044404 , 2021 2021 Citations: 16
First-principles investigations into the thermodynamics of cation disorder and its impact on electronic structure and magnetic properties of spinel Co (Cr1–x Mn x) 2O4 D Das, S Ghosh Journal of Physics: Condensed Matter 29 (5), 055805 , 2017 2017 Citations: 12
Effect of Fe doping in the structural, electronic and magnetic properties of CoCr 2 O 4 : insights from ab initio calculations D Das, S Ganguly, B Sanyal, S Ghosh Materials Research Express 3 (10), 106106 , 2016 2016 Citations: 11
Corrosion inhibition properties of graphene and reduced graphene oxide on aluminum surface: a comparative analysis from experimental and theoretical studies B Polai, A Samal, S Ratha, D Das, SK Nayak Nano Express 6 (1), 015024 , 2025 2025 Citations: 10
Tailoring the electronic structure and magnetic properties of pyrochlore Co 2 Ti 1− x Ge x O 4 : a GGA + U ab initio study S Ghosh, S Singh, D Das, S Ghosh, PK Mishra, S Thota Journal of Physics: Condensed Matter 33 (14), 145504 , 2021 2021 Citations: 6
Functional pyromellitic diimide as a corrosion inhibitor for galvanized steel: An Atomic-Scale Engineering AK Kushwaha, MR Sahoo, M Ray, D Das, S Nayak, A Maity, K Sarkar, ... ACS omega 7 (31), 27116-27125 , 2022 2022 Citations: 5
Ligand Hole Driven Metal–Insulator Transition Exemplified in a Layered Transition Metal Oxide AA Arindam Sarkar, Hrishit Banerjee, Debashish Das, Prashant Singh Chemistry of Materials , 2025 2025 Citations: 3
Effect of Pd alloying on structural, electronic and magnetic properties of L1 0 Fe–Ni P Singh, D Das, DD Johnson, R Arroyave, A Alam Journal of Physics: Condensed Matter 33 (15), 154003 , 2021 2021 Citations: 3
Colossal Stability of SiB 11 (BO) 12 − : An Implication as Potential Electrolyte in High‐Voltage Alkali‐ion Battery A Kumar Kushwaha, S Soumya Jena, M Ranjan Sahoo, D Das, ... ChemPhysChem 24 (18), e202300032 , 2023 2023 Citations: 2
Site Occupancies and Their Effects on the Physical Properties of Spinel: An Ab Initio Study D Das, S Ghosh physica status solidi (b) 255 (8), 1800025 , 2018 2018 Citations: 2
Enhanced Formulation of Precision Probiotics through Active Machine Learning A Panda, M Adhikari, SS Nasker, AK Nayak, D Das, SK Nayak, SK Dash, ... Biology Methods and Protocols, bpag007 , 2026 2026
Fast interlayer energy transfer from the lower bandgap MoS 2 to the higher bandgap WS 2 Gayatri, M Arfaoui, D Das, T Kazimierczuk, S Ayari, N Zawadzka, ... npj 2D Materials and Applications , 2026 2026
Fast Interlayer Energy Transfer from the Lower Bandgap MoS2 to the Higher Bandgap WS2 M Arfaoui, D Das, T Kazimierczuk, S Ayari, N Zawadzka, T Taniguchi, ... arXiv preprint arXiv:2504.13318 , 2025 2025
Ligand hole driven metal-insulator Transition in Ca FeMnO A Sarkar, D Das, P Singh, A Alam arXiv preprint arXiv:2302.01545 , 2023 2023
