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Theoretical and Computational Photochemistry, Electronic Structure Methods, Electron Correlation, MR-TADF, Singlet Fission
Hong Kong SAR China

Activities

Employment (3)

Soochow University: Suzhou, CN

(Institute of Functional Nano & Soft Materials)
Employment
Source: Self-asserted source
Rajat Walia

City University of Hong Kong: HK, HK

2023-06-01
Employment
Source: check_circle
City University of Hong Kong

The University of Hong Kong: Hong Kong, Pok Fu Lam, HK

2017-06-01 to 2022-05-31 | PhD Student (Chemistry)
Employment
Source: Self-asserted source
Rajat Walia

Education and qualifications (2)

Banaras Hindu University: Varanasi, IN

2014 to 2016 | M.Sc. (Physical Chemistry) (Department of Chemistry)
Qualification
Source: Self-asserted source
Rajat Walia

Banaras Hindu University: Varanasi, IN

2011 to 2014 | B.Sc. (Hons.) (Department of Chemistry)
Qualification
Source: Self-asserted source
Rajat Walia

Professional activities (2)

Council of Scientific and Industrial Research: New Delhi, IN

2016 | Junior Research Fellow (JRF)
Distinction
Source: Self-asserted source
Rajat Walia

Department of Science and Technology, Ministry of Science and Technology, India: New Delhi, IN

2011 | DST-INSPIRE Scholarship
Distinction
Source: Self-asserted source
Rajat Walia

Works (17)

Hydroalkylation of styrenes enabled by boryl radical mediated halogen atom transfer

Chemical Science
2024 | Journal article
Contributors: Serena Pillitteri; Rajat Walia; Erik V. Van der Eycken; Upendra K. Sharma
Source: check_circle
Crossref

Shining light on tryptamine-derived isocyanides: access to constrained spirocylic scaffolds

Chemical Science
2024 | Journal article
Contributors: Minghui Wu; Jordy M. Saya; Peiliang Han; Rajat Walia; Bapi Pradhan; Maarten Honing; Prabhat Ranjan; Romano V. A. Orru
Source: check_circle
Crossref

Stepwise One‐Shot Borylation Reactions for Intersecting DABNA Substructures Exhibiting Bright Yellow‐Green Electroluminescence with EQE Beyond 40 % and Mild Roll‐Off

Angewandte Chemie
2024-10-30 | Journal article
Part of ISSN: 0044-8249
Part of ISSN: 1521-3757
Contributors: Xin Xiong; Ting‐Feng Chen; Rajat Walia; Xiao‐Chun Fan; Ying‐Chun Cheng; Hui Wang; Hao Wu; Xian‐Kai Chen; Jia Yu; Kai Wang et al.
Source: Self-asserted source
Rajat Walia

Expanding the Potential Window through Synergistic Design and Oriented Heterostructure for Supercapacitor

Small Methods
2024-09-19 | Journal article
Part of ISSN: 2366-9608
Part of ISSN: 2366-9608
Contributors: Muhammad Ahmad; Tehseen Nawaz; Iftikhar Hussain; Umay Amara; Xi Chen; Yassine Eddahani; Rajat Walia; Kaili Zhang
Source: Self-asserted source
Rajat Walia

A new physical picture to achieve small singlet-triplet energy gaps in high-efficiency polycyclic heteroaromatic emitters

2024-07-12 | Preprint
Contributors: Rajat Walia; Xin Xiong; Xiao‐Chun Fan; Kai Wang; Yi-Zhong Shi; Xun Tang; Jean-Luc Bredas; Chihaya Adachi; Xian-Kai Chen; Xiao-Hong Zhang
Source: check_circle
Crossref

Experimental and theoretical insights of binder-free magnesium nickel cobalt selenide star-like nanostructure as electrode

Journal of Energy Storage
2023-11 | Journal article
Part of ISSN: 2352-152X
Contributors: Muhammad Ahmad; Tehseen Nawaz; Iftikhar Hussain; Qudrat Ullah; Xi Chen; Rajat Walia; Shafqat Ali; Saikh Mohammad Wabaidur; Waqas Ul Arifeen; Kaili Zhang
Source: Self-asserted source
Rajat Walia

Origin of Small Singlet-Triplet Energy Gaps and Novel Molecule-Design Principle for Multi-Resonance Thermally Activated Delayed Fluorescence Emitters

2023-08-30 | Preprint
Contributors: Xian-Kai Chen; Rajat Walia; Xiaochun Fan; Zexing Qu; Kai Wang; Xiao-Hong Zhang
Source: check_circle
Crossref

Structural study of atomically precise doped Au38−Ag NCs@ZIF-8 electrode material for energy storage application

Chemical Engineering Journal
2023-07 | Journal article
Part of ISSN: 1385-8947
Contributors: Tehseen Nawaz; Muhammad Ahmad; Mohd Zahid Ansari; Iftikhar Hussain; Xi Chen; Li-Juan Liu; Rajat Walia; Kam Hung Low; Shengli Zhuang; Kaili Zhang et al.
Source: Self-asserted source
Rajat Walia

Efficient, narrow-band, and stable electroluminescence from organoboron-nitrogen-carbonyl emitter

2023-03-20 | Preprint
Contributors: Chihaya Adachi; Ying-Chun Cheng; Xun Tang; Kai Wang; Xin Xiong; Xiao-Chun Fan; Shulin Luo; Rajat Walia; Yue Xie; Tao Zhang et al.
Source: Self-asserted source
Rajat Walia

Exploring optimal multimode vibronic pathways in singlet fission of azaborine analogues of perylene

Photochemical & Photobiological Sciences
2022-06-18 | Journal article
Part of ISSN: 1474-9092
Source: Self-asserted source
Rajat Walia
grade
Preferred source (of 2)‎

Towards multistate multimode landscapes in singlet fission of pentacene: the dual role of charge-transfer states

Chemical Science
2021 | Journal article
Contributors: Rajat Walia; Zexiang Deng; Jun Yang
Source: check_circle
Crossref
grade
Preferred source (of 3)‎

From benchmarking ab-initio DMRG investigations to theoretical modeling of new singlet fission systems

International Conference on Photochemistry 2021 (ICP 2021), 19/07/21
2021-07 | Conference abstract | Author
SOURCE-WORK-ID:

b3858297-f24e-459f-9e79-985c8b0d0249

Contributors: Rajat Walia; Jun Yang
Source: check_circle
City University of Hong Kong

From benchmarking ab-initio DMRG investigations to theoretical modeling of new singlet fission systems

30th International Conference on Photochemistry (ICP) 2021
2021-07-21 | Conference paper
DOI:

https://icp.kuoni-congress.info/2021/programme/abstract/58

Source: Self-asserted source
Rajat Walia

From Benchmarking Molecular DMRG Investigations to Theoretical Modelling of New Singlet Fission Molecules

ACS Publications Symposium: The Power of Chemical Transformations
2021-05-10 | Conference poster
Source: Self-asserted source
Rajat Walia
grade
Preferred source (of 2)‎

From benchmarking ab-initio DMRG investigations to theoretical modelling of singlet fission systems

The 27th Postgraduate Symposium on Chemistry Postgraduate Research in Hong Kong
2020-10-16 | Conference abstract
Source: Self-asserted source
Rajat Walia

Au Nanoparticle Aggregates Assembled on 3D Mirror-like Configuration Using Canna generalis Leaves for SERS Applications

Colloid and Interface Science Communications
2017-05 | Journal article
Part of ISSN: 2215-0382
Source: Self-asserted source
Rajat Walia
grade
Preferred source (of 3)‎

Synthesis and Characterization of ‘D-Π-A’ push-pull systems

Department of Chemistry, Faculty of Science, Banaras Hindu University
2016 | Other
Source: Self-asserted source
Rajat Walia

Peer review (5 reviews for 4 publications/grants)

Review activity for Energies. (1)
Review activity for International journal of molecular sciences. (2)
Review activity for Molecules. (1)
Review activity for Reactions. (1)