| Plasmon activation versus plasmon quenching on the overall photocatalytic performance of Ag/Au bimetal decorated g-C3N4 nanosheets under selective photoexcitation: A … T Kashyap, S Biswas, S Ahmed, D Kalita, P Nath, B Choudhury Applied Catalysis B: Environmental 298, 120614, 2021 | 48 | 2021 |
| End-capped group manipulation of non-fullerene acceptors for efficient organic photovoltaic solar cells: a DFT study S Ahmed Phys. Chem. Chem. Phys. 22 (Hot article 2020), 23586, 2020 | 42 | 2020 |
| Strategical designing of diketopyrrolopyrrole-thiophene based donor-acceptor type organic oligomers and study their transport properties: A DFT/TD-DFT perspective S Ahmed, R Dutta, DJ Kalita Chemical Physics Letters 730, 14-25, 2019 | 39 | 2019 |
| Theoretical design of new triphenylamine based dyes for the fabrication of DSSCs: A DFT/TD-DFT study R Dutta, S Ahmed, DJ Kalita Materials Today Communications 22, 100731, 2020 | 35 | 2020 |
| Charge transport in isoindigo-dithiophenepyrrole based DA type oligomers: A DFT/TD-DFT study for the fabrication of fullerene-free organic solar cells S Ahmed, DJ Kalita The Journal of chemical physics 149 (23), 2018 | 35 | 2018 |
| Charge injection and hopping transport in bridged-dithiophene-triazole-bridged-dithiophene (DT-Tr-DT) conducting oligomers: A DFT approach R Dutta, DJ Kalita Computational and Theoretical Chemistry 1132, 42-49, 2018 | 28 | 2018 |
| Tuning the structural and electronic properties of novel thiophene-pyrrole based 1, 2, 3, 4-tetrazine R Dutta, DJ Kalita The European Physical Journal D 71, 1-12, 2017 | 20 | 2017 |
| Narrowing the band gap of graphitic carbon nitride sheet by coupling organic moieties: A DFT approach R Dutta, B Dey, DJ Kalita Chemical Physics Letters 707, 101-107, 2018 | 19 | 2018 |
| Use of modified smooth exterior scaling method as an absorbing potential and its application DJ Kalita, AK Gupta The Journal of chemical physics 134 (9), 2011 | 19 | 2011 |
| Structural modulation of phenothiazine and coumarin based derivatives for high performance dye sensitized solar cells: a theoretical study S Ahmed, SR Bora, T Chutia, DJ Kalita Physical Chemistry Chemical Physics 23 (23), 13190-13203, 2021 | 16 | 2021 |
| Rational Design of Bay-Annulated Indigo (BAI)-Based Oligomers for Bulk Heterojunction Organic Solar Cells: A Density Functional Theory (DFT) Study S Ahmed, BC Mushahary, DJ Kalita ACS omega 5 (14), 8321-8333, 2020 | 16 | 2020 |
| Tuning of some novel triphenylamine-based organic dyes for their potential application in dye-sensitized solar cells: A theoretical study R Dutta, S Kalita, DJ Kalita Computational and Theoretical Chemistry 1142, 39-44, 2018 | 15 | 2018 |
| Single and multiple site Cu (II) catalysts for benzyl alcohol and catechol oxidation reactions G Gogoi, JK Nath, N Hoque, S Biswas, NK Gour, DJ Kalita, SR Bora, ... Applied Catalysis A: General 644, 118816, 2022 | 13 | 2022 |
| Tuning the charge transfer and optoelectronic properties of tetrathiafulvalene based organic dye-sensitized solar cells: a theoretical approach SR Bora, DJ Kalita RSC advances 11 (62), 39246-39261, 2021 | 10 | 2021 |
| Application of smooth exterior scaling method to study the time dependent dynamics of H2+ in intense laser field DJ Kalita, AK Gupta The Journal of chemical physics 133 (13), 2010 | 10 | 2010 |
| Theoretical investigation of fused N-methyl-dithieno-pyrrole derivatives in the context of acceptor–donor–acceptor approach T Chutia, DJ Kalita RSC advances 12 (23), 14422-14434, 2022 | 9 | 2022 |
| Breakdown of dipole approximation and its effect on high harmonic generation R Mishra, DJ Kalita, AK Gupta The European Physical Journal D 66, 1-5, 2012 | 9 | 2012 |
| Rational design of BODIPY-carbazole analogues in the context of D-π-A approach for facile charge transport: A DFT/TD-DFT study S Ahmed, DJ Kalita Journal of Molecular Graphics and Modelling 100, 107631, 2020 | 8 | 2020 |
| Rational design of mixed Sn–Ge based hybrid halide perovskites for optoelectronic applications: a first principles study T Chutia, DJ Kalita RSC advances 12 (39), 25511-25519, 2022 | 6 | 2022 |
| Hopping transport in perylene diimide based organic solar cells: a DFT approach SR Bora, DJ Kalita New Journal of Chemistry 46 (40), 19357-19372, 2022 | 6 | 2022 |
Smiti Rani BoraGauhati UniversityVerified email at gauhati.ac.in
