Formation of stable naphthalenediimide radical anion: Substituent-directed synergistic effects of hydrogen bonding and charge transfer interactions on chromogenic …
Naphthalimide-based chromogenic probes have been developed with different electron-
withdrawing terminal functional groups. All the compounds showed a dose-dependent …
withdrawing terminal functional groups. All the compounds showed a dose-dependent …
Comparative analysis of Boron, nitrogen, and phosphorous doping in monolayer of semi-metallic Xenes (Graphene, Silicene, and Germanene)-A first principle …
A Tiwari, N Bahadursha, J Palepu… - Materials Science in …, 2023 - Elsevier
In this work, for the first time, a density functional theory (DFT) based detailed theoretical
study has been performed on the comparative effects of Boron (B), Nitrogen (N), and …
study has been performed on the comparative effects of Boron (B), Nitrogen (N), and …
Rags to riches: meliorating the electrocatalytic reduction of nitrate to ammonia over Cu-based nanoalloys
The selective electrocatalytic reduction of nitrate pollutants into valuable ammonia products
has gained significant momentum thanks to the emerging circular economy model …
has gained significant momentum thanks to the emerging circular economy model …
Comparative Analysis of LiMPO4 (M = Fe, Co, Cr, Mn, V) as Cathode Materials for Lithium-Ion Battery Applications—A First-Principle-Based Theoretical Approach
The rapidly increasing demand for energy storage has been consistently driving the
exploration of different materials for Li-ion batteries, where the olivine lithium-metal …
exploration of different materials for Li-ion batteries, where the olivine lithium-metal …
Comparative analysis of strain engineering on the electronic properties of homogenous and heterostructure bilayers of MoX2 (X= S, Se, Te)
J Palepu, PP Anand, P Parshi, V Jain, A Tiwari… - Micro and …, 2022 - Elsevier
In this work, for the first time, the comparative electronic properties of homogenous and van
der Waals (vdW) heterostructure bilayers of Molybdenum Dichalcogenides, MoX 2 (X= S …
der Waals (vdW) heterostructure bilayers of Molybdenum Dichalcogenides, MoX 2 (X= S …
Quantum capacitance engineering in boron and carbon modified monolayer phosphorene electrodes for supercapacitor application: a theoretical approach using ab …
A Tiwari, G Bansal, SJ Mukhopadhyay… - Journal of Energy …, 2023 - Elsevier
In this work, for the first time, the effects of Boron (B) and Carbon (C) substitutional doping/co-
doping on the quantum capacitance of monolayer Phosphorene (Ph) have been extensively …
doping on the quantum capacitance of monolayer Phosphorene (Ph) have been extensively …
[HTML][HTML] A novel synthesis route with large-scale sublattice asymmetry in boron doped graphene on Ni (111)
One of the promising ways to functionalize graphene is incorporation of heteroatoms in
carbon sp2 lattice, as it is proven to be an efficient and versatile method for controllably …
carbon sp2 lattice, as it is proven to be an efficient and versatile method for controllably …
Surface engineered phosphorene using boron and arsenic doping/Co-doping for Co-optimizing the adsorption stability, transduction, and recovery of CO, NO, and SO …
A Tiwari, AA Apte, SK Dyavadi, ESK Balaji… - Materials Today …, 2023 - Elsevier
In this work, for the first time, the effects of non-metallic Boron (B), Arsenic (As) substitutional
doping as well as co-doping at different lattice positions of monolayer Phosphorene (Ph) …
doping as well as co-doping at different lattice positions of monolayer Phosphorene (Ph) …
Site-specific ammonia adsorption and transduction on a naphthalimide derivative molecule–a complementary analysis involving ab initio calculation and experimental …
Naphthalene diimide derivatives (NDIs) have exhibited significant potential for sensing
applications owing to their excellent photo-stability, environmental stability, reasonable …
applications owing to their excellent photo-stability, environmental stability, reasonable …
Carbon monoxide adsorption on different sub-lattice sites of nitrogen and phosphorous doped and Co-doped germanene-a first principle study
In this work, using first principle calculation, the Carbon Monoxide (CO) adsorption on
Nitrogen (N), Phosphorus (P) doped, and co-doped monolayer Germanene (Ge) is …
Nitrogen (N), Phosphorus (P) doped, and co-doped monolayer Germanene (Ge) is …