- Ph.D. VACANCY for December 2020 call = 1. Write to us with CV.
- Congrats to Preeti for acceptance of her first PhD work in Nanoscale Adv. Awesome!
- Pooja has submitted her thesis! Heartiest congratulations!
- Pooja is all set to join CNRS, Institut des sciences chimiques de Rennes, France with a prestigious postdoctoral position.
- Shikha has defended her PhD thesis. Congrats Dr. Shikha Saini!
- Congrats to Shikha for publishing back to back in JPMater, ACS AMI, Nanoscale and Appl. Catal. B! Awesome!
- Shikha is all set to join Aalto University, Helsinki with a prestigious postdoctoral position.
- We welcome Ankita and Priyanka as the newest members of DISCERE.
- Congratulations to Pooja for an awesome Pre-PhD seminar.
- Saswata is been honoured by NASI membership.
- Congrats to Deepika for acceptance of JPCC as first PhD publication. Great!
- Congrats to Manjari for hitting JMCC as first PhD publication. Awesome!
Selected Recent Publications from the Group
"Metastability Triggered Reactivity in Clusters at Realistic Conditions: A Case Study of N-doped (TiO2)n for Photocatalysis"
S. Saini, P. Basera, M. Kumar, P. Bhumla, S. Bhattacharya*
J. Phys. Mater. 4, 015001 (2021)
"Insights into enhanced stability and activity of silica modified SiC supported iron oxide catalyst in sulfuric acid decomposition"
S. Pathak, S. Saini, K. Kondamudi, S. Upadhyayula*, S. Bhattacharya*
Appl. Catal., B (Accepted 2020)
"Understanding the Role of Sn Substitution and Pb-Vacancy in Enhancing the Stability of CH(NH2)2Pb1−X−YSnXVacYBr3: A hybrid Density Functional Approach"
M. Jain, A. Singh, P. Basera, M. Kumar, S. Bhattacharya*
J. Mater. Chem. C 8, 10362 (2020)
"Reducing Lead-toxicity in MAPbI3: Why Sn Substitution Should be Preferred to Pb Vacancy for Optimum Solar Cell Efficiency"
P. Basera, M. Kumar, S. Saini, S. Bhattacharya*
Phys. Rev. B 101, 054108 (2020)
"Enhanced Photoresponse due to Efficient Charge Transfer in 4-Aminothiophenol Functionalized MoSe2−CsPbBr3 Nanohybrids"
Md. S. Hassan, P. Basera, S. Bera, M. Mittal, S. Ray, S. Bhattacharya*, S. Sapra*
ACS Appl. Mater. Interfaces 12, 7317 (2020)
"Role of Defects in Photocatalytic Water Splitting: Monodoped vs Codoped SrTiO3"
M. Kumar, P. Basera, S. Saini, S. Bhattacharya*
J. Phys. Chem. C 124, 10272 (2020)
"Understanding the Ionic Diffusivity in (Meta)Stable (Un)Doped Solid State Electrolyte from First-principles: A Case Study of LISICON"
D. Gill, M. Kumar, P. Basera, S. Bhattacharya*
J. Phys. Chem. C 124, 17485 (2020)
"Self Energy and Excitonic Effect in (Un)Doped TiO2 Anatase: A Comparative Study of Hybrid DFT, GW and BSE to Explore Optical Properties"
P. Basera, S. Saini, S. Bhattacharya*
J. Mater. Chem. C 7, 14284 (2019)
"Band Gap Engineering in Cs2(NaxAg1−x)BiCl6 Double Perovskite Nanocrystals"
R. Singh, P. Basera, S. Bhattacharya*, S. Sapra*
J. Phys. Chem. Lett. 10, 5173 (2019)
"Theoretical Evidence for Unexpected O-rich Phases at Corners of MgO Surfaces"
S. Bhattacharya*, D. Berger, K. Reuter, L. Ghiringhelli, S. Levchenko*
Phys. Rev. Materials (Rapid Commun.) 1, 071601 (2017)
"Unraveling the Role of Vacancies in the potentially Promising Thermoelectric Clathrates Ba8ZnxGe46−x−y▢y"
A. Bhattacharya*, S. Bhattacharya*
Phys. Rev. B 94, 094305 (2016)
"Exploring N-Rich Phases in LixNy Clusters for Hydrogen Storage at Nano-Scale"
A. Bhattacharya, S. Bhattacharya*
J. Phys. Chem. Lett., 6, 3726 (2015)
"Computational Design of Nanoclusters by Property-Based Genetic Algorithms: Tuning the Electronic Properties of (TiO2)n Clusters"
S. Bhattacharya*, B. H. Sonin, C. J. Jumonville, L. M. Ghiringhelli*, N. Marom*
Phys. Rev. B (Rapid Commun.) 91, 241115 (2015)