- Congrats Preeti for the recent JPCL. Third JPCL in a row from our group this year. Awesome!
- Congrats Deepika for the recent JPCL. Back to back JPCL from our group this year. Awesome!
- Congrats Manish for the recent JPCL. You have finally made it. Awesome!
- Congrats Preeti! First Chem. Mater. from the group! Proud moment for all of us.
- Congrats Manjari! Well deserved Appl. Phys. Lett. Great going!
- Congrats Arunima! Well deserved Nanoscale Adv.! Great start in the field of vdW heterostructures!
- Congrats Deepika! Well deserved J.Phys. Mater. on high-throughput screening! Great!
- Congrats Manish! Well deserved Appl. Phys. Lett. on double perovskites. Great going!
- Congrats Preeti! First PhD publication in Nanoscale Adv. Awesome!
- Congrats Ankita and Priyanka for successfully clearing the coursework with high CGPA.
- Saswata is been honoured by NASI membership.
- Congrats Deepika! First PhD publication in J. Phys. Chem. C. Great!
- Congrats Manjari! First PhD publication in J. Mater. Chem. C. Awesome!
Selected Recent Publications from the Group
"Origin of Rashba Spin-splitting and Strain Tunability in Ferroelectric Bulk CsPbF3"
P. Bhumla, D. Gill, S. Sheoran, S. Bhattacharya
J. Phys. Chem. Lett. 12, 9539 (2021)
"Exploring Exciton and Polaron Dominated Photo-physical Phenomena in Ban+1ZrnS3n+1 (n=[1,3]) Ruddlesden-Popper Phases from Manybody Perturbation Theory"
D. Gill, A. Singh, M. Jain, S. Bhattacharya
J. Phys. Chem. Lett. 12, 6698 (2021)
"Optoelectronic Properties of Chalcogenide Perovskites from Manybody Perturbation Theory"
M. Kumar, A. Singh, D. Gill, S. Bhattacharya
J. Phys. Chem. Lett. 12, 5301 (2021)
"Theoretical Insights of Excitonic Effect in Lead Bromide Perovskites"
M. Jain, D. Gill, P. Bhumla, P. Basera, S. Bhattacharya
Appl. Phys. Lett. 118, 192103 (2021)
"MoS2 and Janus (MoSSe) Based 2D van der Waals Heterostructures: Emerging Direct Z-scheme Photocatalysts"
A. Singh, M. Jain, S. Bhattacharya
Nanoscale Adv. 3, 2837 (2021)
"Sublattice Mixing in Cs2AgInCl6 for Enhanced Optical Properties from First-principles"
M. Kumar, M. Jain, A. Singh, S. Bhattacharya
Appl. Phys. Lett. 118, 021901 (2021)
"Theoretical Insights into C−H Bond Activation of Methane by Transition Metal Clusters: The Role of Anharmonic Effects"
P. Bhumla, M. Kumar, S. Bhattacharya
Nanoscale Adv. 3, 575 (2021)
"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 (2020)
"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
Applied Catalysis B: Environmental 284, 119613 (2021)
"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)
"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)
"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)