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January 2025: Welcome Sakshi to the group. She has joined to pursue her Ph.D. All the best
July 2024: Welcome Jyoti, Poojalakshmi, Krishna, Aashutosh and Rishabh to the group. Jyoti and Poojalakshmi have joined us to pursue their Ph.D.
Krishna, Aashutosh, and Rishabh are here for a year-long project. All the best.
January 2024: Welcome Bhawna and Akanksha to the group. They have joined us to pursue their Ph.D. in computational materials science. All the best.
Oct 2023: Glad to receive Extra Mural Research Grant from CSIR, India on our proposal "Computational Investigation to Identify and Optimize Efficient Inorganic Double Halide Perovskites for Hot Carrier Solar Cells", We will study excited state charge dynamics and carrier cooling processes using NAMD, DFT, and Machine Learning.
Oct 2023: Congratulations to Sarika and Pabitra for their study on the impact of strain on double halide perovskites is now published in JPCL titled "Composition Dependent Strain Engineering of Lead-Free Halide Double Perovskite: Computational Insights". This is the first paper of Sarika.
Sept 2023: Congratulations to Priyanka and Kushal for their first paper. They studied the impact of spatial heterogeneity of Cu atoms on the stability and photophysical properties, including the emission linewidth of doped QDs at ambient conditions. The manuscript "The Impact of Spatially Heterogeneous Chemical Doping on the Electronic Properties of CdSe Quantum Dots: Insights from ab initio Computation" is now published in Nanoscale.
August 2023: Welcome Durgesh and Nikhil to the group. They have joined us to pursue their Ph.D. in computational materials design and discovery. Exciting time ahead.
May 2023: Our paper "Tuning charge carrier dynamics through spacer cation functionalization in layered halide perovskites: an ab initio quantum dynamics study " in J. Mater. Chem C has been selected as a HOT Paper. Great start for Pabitra.
March 2023: Our effort to understand the photophysical properties of nanocrystals continues, two papers "Hot carrier relaxation dynamics in non-stoichiometric CdSe quantum dots: computational insights" in J. Mater. Chem A and "How structural and vibrational features affect optoelectronic properties of non-stoichiometric quantum dots: computational insights" in Nanoscale discuss our recent findings. Fruitful collaborations with Los Alamos National Lab, Rice University, and University of Southern California, USA. Congratulations to Shriya and Manav for their hard work.
March 2023: Congratulations to Mr. Pabitra K Nayak for getting selected for prestigious The Prime Minister's Research Fellowship (PMRF) Scheme
February 2023: Very first paper solely from the CDFM group, Pabitra has studied the impact of spacer cation functionalization on the charge carrier dynamics and recombination processes in layer halide perovskites. Now published in J. Mater. Chem C, titled "Tuning charge carrier dynamics through spacer cation functionalization in layered halide perovskites: an ab initio quantum dynamics study ". Congratulations to Pabitra for his debut paper.
January 2023: Great collaborative work to understand the charge dynamics in halide perovskites, "Charge transport in mixed metal halide perovskite semiconductors" now published in Nature Materials. An exciting collaboration with Prof. Henning Sirringhaus's group at the University of Cambridge, UK
January 2023: Check our collaborative work "Light-Induced Structural Dynamics and Charge Transport in Layered Halide Perovskite Thin Films", published in Nano Letters. A great collaboration with Dr. Nie's group from LANL, USA.
January 2023: Welcome Ms. Ankita to the group. She has joined us to pursue Ph.D. in computationally designing catalysts, important for chemical technologies.
November 2022: The UCL/IITD Joint Seed Funding has been granted to the group to work on the proposal "Tuning the Charge Transport in Organic Semiconductors through Strategic Functionalization: A Combined Experimental and Computational Approach". The very first successful proposal with international collaborator, Prof. Tracey Clarke, University College London, UK.
November 2022: Check our recent paper, titled "Role of Fe–O–M Bond in Controlling the Electroactive Species Generation from the FeMO4 (M: Mo and W) Electro(pre)catalyst during OER" (link), published in ACS Applied Energy Materials. An outcome of a fruitful collaboration with the experimental group of Prof. Biswarup Chakraborty, Dept. Chemistry, IIT Delhi
September 2022: The group has received Start-up Research Grant (SRG) from Science and Engineering Research Board (SERB), India to work on "Designing Dion-Jacobson Phase Halide Perovskites for Efficient Optoelectronics: A Computational Approach". Exciting time ahead !!!!
August 2022: Welcome Ms. Sarika and Ms. Divya to the group. They are doing a year-long M.Sc. project in the group.
May 2022: Check out our new paper "Impact of composition engineering on charge carrier cooling in hybrid perovskites: computational insights" in J. Mater. Chem. C (Link)
Prof. Dibyajyoti took part as a panelist for the MRS webinar "Learn from the Early Career Faculty Webinar Series – Part I: The Application Process"
2021 - Dibyajyoti joined the Dept. Materials Sciences and Engineering, IIT Delhi, India
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