Dr Hrishit Banerjee
@hrishit.bsky.social
PhD, MRSC, MInstP | Lecturer@University of Dundee, Visiting Researcher@University of Cambridge, Honorary Fellow@University of Birmingham | Theoretical Condensed Matter Physicist
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My featured author article showing the impact of ligand hole states in Li-rich high Ni-content materials! This has also been selected as Journal of Materials Chemistry A HOT paper!
@rsc.org @jmaterchem.rsc.org
My featured author article showing the impact of ligand hole states in Li-rich high Ni-content materials! This has also been selected as Journal of Materials Chemistry A HOT paper!
@rsc.org @jmaterchem.rsc.org
Demystifying charge-compensation mechanisms and oxygen dimerization in Li-rich Li2NiO3 cathodes
Li-rich cathodes are gaining popularity for Li-ion batteries due to their higher capacity compared to standard layered cathodes. However, the redox mechanisms in these materials are still not clear, n...
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September 25, 2025 at 9:45 PM
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My featured author article showing the impact of ligand hole states in Li-rich high Ni-content materials! This has also been selected as Journal of Materials Chemistry A HOT paper!
@rsc.org @jmaterchem.rsc.org
My featured author article showing the impact of ligand hole states in Li-rich high Ni-content materials! This has also been selected as Journal of Materials Chemistry A HOT paper!
@rsc.org @jmaterchem.rsc.org
Deep Learning-based prediction of self-energies from ab initio Dynamical Mean-Field Theory for real materials with minimal data sets | ChemRxiv - doi.org/10.26434/che...
#machinelearning #computationalchemistry #computationalmaterialsscience #condensedmatterphysics
#machinelearning #computationalchemistry #computationalmaterialsscience #condensedmatterphysics
Deep Learning-based prediction of self-energies from ab initio Dynamical Mean-Field Theory for real materials with minimal data sets
Density-functional Theory (DFT) has been the mainstay of solid-state physicists and quantum chemists alike for the better part of several decades to carry out first-principles calculations on solid ma...
doi.org
September 25, 2025 at 9:37 PM
Deep Learning-based prediction of self-energies from ab initio Dynamical Mean-Field Theory for real materials with minimal data sets | ChemRxiv - doi.org/10.26434/che...
#machinelearning #computationalchemistry #computationalmaterialsscience #condensedmatterphysics
#machinelearning #computationalchemistry #computationalmaterialsscience #condensedmatterphysics
Having a great time at the Clare Grey Symposium - lovely to meet old friends and colleagues!
We are all set for 2 day ‘Clare Grey Symposium’. Looking forward to meet all the friends and alumni of the group 🎊
March 27, 2025 at 2:35 PM
Having a great time at the Clare Grey Symposium - lovely to meet old friends and colleagues!
pubs.acs.org/doi/10.1021/...
Read our latest work on tuning band gaps through 2D/3D interfacial charge transfer in moisture stable hybrid perovskite solar cells giving rise to higher efficiency of energy conversion published in @acs.org applied materials & interfaces. Many thanks to collaborators!
Read our latest work on tuning band gaps through 2D/3D interfacial charge transfer in moisture stable hybrid perovskite solar cells giving rise to higher efficiency of energy conversion published in @acs.org applied materials & interfaces. Many thanks to collaborators!
Tuning Electronic and Optical Properties of 2D/3D Interfaces of Hybrid Perovskites through Interfacial Charge Transfer: Prediction of Higher-Efficiency Interface Solar Cells Using Hybrid-DFT Methods
The 2D/3D or 2D/quasi-2D composite mixed-dimensional construction of hybrid perovskite interfaces is gaining increasing attention due to their enhanced stability toward degradation without compromisin...
pubs.acs.org
March 26, 2025 at 5:16 AM
pubs.acs.org/doi/10.1021/...
Read our latest work on tuning band gaps through 2D/3D interfacial charge transfer in moisture stable hybrid perovskite solar cells giving rise to higher efficiency of energy conversion published in @acs.org applied materials & interfaces. Many thanks to collaborators!
Read our latest work on tuning band gaps through 2D/3D interfacial charge transfer in moisture stable hybrid perovskite solar cells giving rise to higher efficiency of energy conversion published in @acs.org applied materials & interfaces. Many thanks to collaborators!
pubs.acs.org/doi/10.1021/...
Read our latest work in ACS Energy Letters combining our theoretical understanding with wonderful exptl data from the Piper Group members explaining how a fatigued phase forms due to O loss and leads to capacity loss in Ni rich cathodes for Li ion batteries.
Read our latest work in ACS Energy Letters combining our theoretical understanding with wonderful exptl data from the Piper Group members explaining how a fatigued phase forms due to O loss and leads to capacity loss in Ni rich cathodes for Li ion batteries.
Nature of the Oxygen-Loss-Induced Rocksalt Layer and Its Impact on Capacity Fade in Ni-Rich Layered Oxide Cathodes
In Ni-rich layered oxide cathodes, cycling above the oxygen-loss threshold voltage (∼4.3 V vs Li+/Li) promotes structural transformations at the cathode surface. These transformations can result in va...
pubs.acs.org
February 22, 2025 at 9:25 PM
pubs.acs.org/doi/10.1021/...
Read our latest work in ACS Energy Letters combining our theoretical understanding with wonderful exptl data from the Piper Group members explaining how a fatigued phase forms due to O loss and leads to capacity loss in Ni rich cathodes for Li ion batteries.
Read our latest work in ACS Energy Letters combining our theoretical understanding with wonderful exptl data from the Piper Group members explaining how a fatigued phase forms due to O loss and leads to capacity loss in Ni rich cathodes for Li ion batteries.
Reposted by Dr Hrishit Banerjee
Prof. Dame Clare Grey @greygroupcam.bsky.social is the 2025 recipient of the Richard R. Ernst Gold Medal @ethzurich.bsky.social chab.ethz.ch/en/research/... #NMRchat #NMR #BattChat 🧲🔋
February 20, 2025 at 10:45 PM
Prof. Dame Clare Grey @greygroupcam.bsky.social is the 2025 recipient of the Richard R. Ernst Gold Medal @ethzurich.bsky.social chab.ethz.ch/en/research/... #NMRchat #NMR #BattChat 🧲🔋
Reposted by Dr Hrishit Banerjee
RT D-CHAB @ETH_DCHAB @ethzurich.bsky.social Congratulations to Prof. Dame Clare Grey @greygroupcam.bsky.social @uniofcam.bsky.social who was honored today at the 2025 Richard R. Ernst Lecture for her contributions in the field of battery research chab.ethz.ch/en/research/... #NMRchat #NMRnew #NMR 🧲
February 21, 2025 at 6:38 PM
RT D-CHAB @ETH_DCHAB @ethzurich.bsky.social Congratulations to Prof. Dame Clare Grey @greygroupcam.bsky.social @uniofcam.bsky.social who was honored today at the 2025 Richard R. Ernst Lecture for her contributions in the field of battery research chab.ethz.ch/en/research/... #NMRchat #NMRnew #NMR 🧲
Reposted by Dr Hrishit Banerjee
1st ever post of ours here! New article out! Congratulations to the team led by Richard Chen for this intensive work revealing insights into the coating effect of NMC811, now in #EESJournal
@FaradayInst @FiDegradation @CATMAT_FI pubs.rsc.org/en/content/a...
@FaradayInst @FiDegradation @CATMAT_FI pubs.rsc.org/en/content/a...
Identification of the dual roles of Al2O3 coatings on NMC811-cathodes via theory and experiment
Metal-oxide coatings are a favoured strategy for mitigating surface degradation problems in state-of-the-art lithium-ion battery Ni-rich layered positive electrode materials. Despite their extensive u...
pubs.rsc.org
January 21, 2025 at 6:42 PM
1st ever post of ours here! New article out! Congratulations to the team led by Richard Chen for this intensive work revealing insights into the coating effect of NMC811, now in #EESJournal
@FaradayInst @FiDegradation @CATMAT_FI pubs.rsc.org/en/content/a...
@FaradayInst @FiDegradation @CATMAT_FI pubs.rsc.org/en/content/a...