Search Results - "Nanda, B. R. K."

Electronic structure of the substitutional vacancy in graphene: density-functional and Green's function studies by Nanda, B R K, Sherafati, M, Popovi, Z S, Satpathy, S

“…We study the electronic structure of graphene with a single substitutional vacancy using a combination of the density-functional, tight-binding and impurity…”
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Design of an aluminium ion battery with a graphyne host: lowest volume expansion, high stability and low diffusion barriers by G, Abhijitha V, Mishra, Shashi B, Ramaprabhu, S, Nanda, B. R. K

“…Commercialization of aluminium ion battery (AIB) requires limited volume expansion of the host cathode materials after AlCl 4 intercalation, lower activation…”
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Spin-polarized two-dimensional electron gas at oxide interfaces by Nanda, B R K, Satpathy, S

“…The possibility of formation of a fully spin-polarized 2D electron gas at the SrMnO_3/(LaMnO_3)_1/SrMnO_3 heterostructure is predicted from density-functional…”
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Density Functional Theory Studies of Si2BN Nanosheets as Anode Materials for Magnesium-Ion Batteries by Panigrahi, Puspamitra, Mishra, Shashi B, Hussain, Tanveer, Nanda, B. R. K, Ahuja, Rajeev

“…The unique structural characteristics make the 2D materials potential candidates for designing negative electrodes for rechargeable energy storage devices…”
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Enhancing CO2 Electroreduction by Tailoring Strain and Ligand Effects in Bimetallic Copper–Rhodium and Copper–Nickel Heterostructures by Adit Maark, Tuhina, Nanda, B. R. K

“…We show how epitaxially grown Cu–Rh and Cu–Ni heterostructures exploit the strain effect, due to the lattice mismatch, and the ligand effect, arising from the…”
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Unconventional Magnetism and Band Gap Formation in LiFePO4: Consequence of Polyanion Induced Non-planarity by Jena, Ajit, Nanda, B. R. K.

“…Oxygen plays a critical role in strongly correlated transition metal oxides as crystal field effect is one of the key factors that determine the degree of…”
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Enhanced bulk photovoltaic response in Sn doped BaTiO3 through composition dependent structural transformation by Kola, Lakshmi, Murali, D., Pal, Subhajit, Nanda, B. R. K., Murugavel, P.

“…Polycrystalline BaTi1-xSnxO3 samples (x = 0.06, 0.07, 0.08, 0.09, 0.10, and 0.11) were synthesized by the solid state technique. The samples exhibit the…”
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Maximizing Short Circuit Current Density and Open Circuit Voltage in Oxygen Vacancy-Controlled Bi1-xCaxFe1-yTiyO3-δ Thin-Film Solar Cells by Nandy, Subhajit, Kaur, Kulwinder, Gautam, Sanjeev, Chae, Keun Hwa, Nanda, B R K, Sudakar, Chandran

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CO and CO2 Electrochemical Reduction to Methane on Cu, Ni, and Cu3Ni (211) Surfaces by Adit Maark, Tuhina, Nanda, B. R. K

“…The electrocatalytic properties of Cu, Ni, and Cu0.75Ni0.25 alloy are investigated for CO and CO2 reduction to methane by density functional calculations. We…”
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Mechanistic Understanding of NO2 Dissociation on a Rutile TiO2 (110) Surface: An Electronic Structure Study by Marutheeswaran, S, Mishra, Shashi B, Roy, Somnath C, Nanda, B. R. K

“…Understanding the mechanism of NO2 interaction on semiconductor surfaces such as TiO2 is a key step in designing the catalytic processes for conversion of NO2…”
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Maximizing Short Circuit Current Density and Open Circuit Voltage in Oxygen Vacancy-Controlled Bi 1- x Ca x Fe 1- y Ti y O 3-δ Thin-Film Solar Cells by Nandy, Subhajit, Kaur, Kulwinder, Gautam, Sanjeev, Chae, Keun Hwa, Nanda, B R K, Sudakar, Chandran

“…Designing solid-state perovskite oxide solar cells with large short circuit current ( ) and open circuit voltage ( ) has been a challenging problem. Epitaxial…”
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Development of short and long-range magnetic order in the double perovskite based frustrated triangular lattice antiferromagnet Ba2MnTeO6 by Khatua, J., Arh, T., Mishra, Shashi B., Luetkens, H., Zorko, A., Sana, B., Rao, M. S. Ramachandra, Nanda, B. R. K., Khuntia, P.

“…Frustrated magnets based on oxide double perovskites offer a viable ground wherein competing magnetic interactions, macroscopic ground state degeneracy and…”
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Evidence for weak-antilocalization–weak-localization crossover and metal-insulator transition in CaCu3Ru4O12 thin films by Subhadip Jana, Bhat, Shwetha G, Behera, B C, Patra, L, Anil Kumar, P S, Nanda, B R K, Samal, D

“…Artificial confinement of electrons by tailoring the layer thickness has turned out to be a powerful tool to harness control over competing phases in…”
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Field-induced structural and orbital transformations leading to large bulk photovoltaic response in modified barium titanate by Karmegam, Shanmuga Priya, Bidika, Jatin Kumar, Pal, Subhajit, Murali, D., Nanda, B. R. K., Murugavel, P.

“…Ferroelectric systems are gaining importance in the perspective of capitalizing on their potential in energy applications. In particular, the ferroelectric…”
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Development of short and long-range magnetic order in the double perovskite based frustrated triangular lattice antiferromagnet Ba[Formula: see text]MnTeO[Formula: see text] by Khatua, J, Arh, T, Mishra, Shashi B, Luetkens, H, Zorko, A, Sana, B, Rao, M S Ramachandra, Nanda, B R K, Khuntia, P

“…Frustrated magnets based on oxide double perovskites offer a viable ground wherein competing magnetic interactions, macroscopic ground state degeneracy and…”
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Electronic phases and phase separation in the Hubbard-Holstein model of a polar interface by Nanda, B. R. K., Satpathy, S.

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GraphdiyneA Two-Dimensional Cathode for Aluminum Dual-Ion Batteries with High Specific Capacity and Diffusivity by Mishra, Shashi B, V G, Abhijitha, Ramaprabhu, S, Nanda, B. R. K

“…Identifying a suitable cathode material for aluminum dual-ion batteries (ADIBs) with an enhanced specific capacity, cyclic durability, and open circuit voltage…”
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Nuclear tunneling and dynamical Jahn-Teller effect in graphene with vacancy by Popović, Z. S., Nanda, B. R. K., Satpathy, S.

“…We show that the substitutional vacancy in graphene forms a dynamical Jahn-Teller center. The adiabatic potential surface resulting from the electron-lattice…”
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Electron leakage and double-exchange ferromagnetism at the interface between a metal and an antiferromagnetic insulator: CaRuO3/CaMnO3 by Nanda, B R K, Satpathy, S, Springborg, M S

“…Density-functional electronic structure studies of a prototype interface between a paramagnetic metal and an antiferromagnetic (AFM) insulator…”
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Density functional studies of LaMnO3 under uniaxial strain by NANDA, B. R. K, SATPATHY, S

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