Ministry of Education
Rudranarayan Khatua
VIDWAN ID: 721049

Dr Rudranarayan Khatua

Male Doctor of Philosophy
Post-Doctoral Fellow | Chemistry
Indian Institute of Technology, Gandhinagar (2022 - 2024)
Galicia
Expertise: Atomic, Molecular and Chemical
ORCID 0000-0002-8793-699X Scopus 57194462125 Google Scholar tjGCYwgAAAAJ
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24 Publications
0 Projects
173 Scopus Citations
173 CrossRef
2 Years 1 Month Total Experience
Publications
24 Total
Articles
18
Proceedings
6
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Scopus Scopus
173 Citations
8 h-index
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173 Citations
8 h-index
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Professional Recognition

Young Research Award
2020
InSc
Seal of Excellence-Marie Skłodowska-Curie Actions
2026
European Research Executive Agency
GATE-2016
2016
Ministry of Education, India
JEST
2016
Ministry of Education, India

Community & Membership

Annual Meeting IX CINBIO, University of Vigo
Scientific Committee
Jan 2026
Certification in Scientific Writting
Reviewer role
Jan 2023
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Personal Details

Doctor of Philosophy
2022
N/A
Master of Science
2014
Northwestern university
Bachelor of Science
2012
Mula Education Society's Arts, Commerce and Science College, Sonai, Tal. Nevasa, Dist. Ahmednagar 414105
Post-Doctoral Fellow
Mar 2022 – Mar 2024
Indian Institute of Technology, Gandhinagar | Chemistry
Physical Sciences
Atomic, Molecular and Chemical

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Scholarly Work

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Scholarly Publications

Theoretical study of charge transport in tetra hydroxy pyrene (THP) based organic semiconductor

Conference Paper
AIP Conference Proceedings. Year: 2018. Volume: 2005 , Pages: 070004 .
Authors: Khatua, R.; Sahu, S.
DOI 10.1063/1.5050761

Solar‐Driven Photocatalytic N <sub>2</sub> Reduction to Ammonia Using Plasmonic Au@NiZIF‐8 MOF Hybrids

Open Access
Journal Article
ADVANCED OPTICAL MATERIALS (ELECTRONIC). Year: 2025. Volume: 13 , Issue: 34 , Pages: e02759 .
Authors: Belén Arjones‐Fernández; Ankur Malik; Lucía Guillade; Rudranarayan Khatua; Lucas V. Besteiro; Ana Sousa‐Castillo; Margarita Vázquez‐González; Ramón A. Álvarez‐Puebla; Miguel A. Correa‐Duarte
DOI 10.1002/adom.202502759 Crossref Crossref: 1 Scopus Scopus: 1

Rational design of non-fullerene acceptors via side-chain and terminal group engineering: a computational study

Journal Article
Physical Chemistry Chemical Physics. Year: 2023. Volume: 25 , Issue: 11 , Pages: 7994-8004 .
Authors: Rudranarayan Khatua; Bibhas Das; Anirban Mondal
DOI 10.1039/D2CP05958D Crossref Crossref: 19 Scopus Scopus: 19

Design and screening of B–N functionalized non-fullerene acceptors for organic solar cells via multiscale computation

Open Access
Journal Article
Materials Advances. Year: 2023. Volume: 4 , Issue: 19 , Pages: 4425-4435 .
Authors: Rudranarayan Khatua; Anirban Mondal
DOI 10.1039/D3MA00460K Crossref Crossref: 6 Scopus Scopus: 6

Constructing Multiresonance Thermally Activated Delayed Fluorescence Emitters for Organic LEDs: A Computational Investigation

Journal Article
The Journal of Physical Chemistry A. Year: 2023. Volume: 127 , Issue: 49 , Pages: 10393-10405 .
Authors: Sanyam; Rudranarayan Khatua; Anirban Mondal
DOI 10.1021/acs.jpca.3c05056 Crossref Crossref: 19 Scopus Scopus: 17

Cost-Effective Approach for Modeling of Multiresonant Thermally Activated Delayed Fluorescence Emitters

Journal Article
Journal of Chemical Theory and Computation. Year: 2023. Volume: 19 , Issue: 24 , Pages: 9290-9301 .
Authors: Sanyam; Rudranarayan Khatua; Anirban Mondal
DOI 10.1021/acs.jctc.3c01147 Crossref Crossref: 31 Scopus Scopus: 29

Unveiling symmetry: a comparative analysis of asymmetric and symmetric non-fullerene acceptors in organic solar cells

Journal Article
Journal of Materials Chemistry C. Year: 2024. Volume: 12 , Issue: 21 , Pages: 7627-7636 .
Authors: Rudranarayan Khatua; Anirban Mondal
DOI 10.1039/D4TC00386A Crossref Crossref: 7 Scopus Scopus: 8

Exploring structure–property landscape of non-fullerene acceptors for organic solar cells

Open Access
Journal Article
The Journal of Chemical Physics. Year: 2024. Volume: 160 , Issue: 14 , Pages: 144709 .
Authors: Khantil Patel; Rudranarayan Khatua; Kalyani Patrikar; Anirban Mondal
DOI 10.1063/5.0191650 Crossref Crossref: 10 Scopus Scopus: 11
Showing 1 to 8 of 24 publications