Decoding the Structure–Property Paradigm in LiX5Sb11(X = Fe, Mn) Skutterudites: A Synergistic Computational–Experimental Exploration For Energy Storage System Applications

JOM | 2026

DOI: https://doi.org/10.1007/s11837-025-08105-4

Designing Thieno[3,4-c]pyrrole-4,6-dione Core-Based, A2–D–A1–D–A2-Type Acceptor Molecules for Promising Photovoltaic Parameters in Organic Photovoltaic Cells

ACS omega | Vol. 9 | Issue 6 | 2024

DOI: https://doi.org/10.1021/acsomega.3c04970

Designing of Thiophene [3, 2-b] Pyrrole Ring-Based NFAs for High-Performance Electron Transport Materials: A DFT Study

ACS Omega | 2023

DOI: https://doi.org/10.1021/acsomega.2c07954

DFT study of super-halogen (Al7) doped carbon nitride (C2N) and its nonlinear optical properties

Journal of Molecular Structure | Vol. 1270 | Issue 133910 | 2022

DOI: https://doi.org/10.1016/j.molstruc.2022.133910

Designing of symmetrical A-D-A type non-fullerene acceptors by side-chain engineering of an indacenodithienothiophene (IDTT) core based molecule: A computational approach

Computational and Theoretical Chemistry | Vol. 1217 | 2022

DOI: https://doi.org/10.1016/j.comptc.2022.113904

Development of CuO nanoporous material as a highly efficient optoelectronic device

Applied Physics A | 2022

DOI: https://doi.org/10.1007/s00339-022-05447-7

DFT molecular modeling of A2-D-A1-D-A2 type DF-PCIC based small molecules acceptors for organic photovoltaic cells

Chemical Physics Letters | Vol. 806 | 2022

DOI: https://doi.org/10.1016/j.cplett.2022.140026

Drive towards Sonochemically Synthesized Ternary Metal Sulfide for High-Energy Supercapattery

Energy Technology | Vol. 9 | Issue 11 | 2021

DOI: https://doi.org/10.1002/ente.202100110