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Waldemar Kaiser

@waldemarkaiser.bsky.social

Computational Materials Scientist, Group Leader theoICON @ TUM https://theoicon.com/ Passion about Theory&Modeling of Energy Materials

41 Followers  |  88 Following  |  5 Posts  |  Joined: 17.11.2024
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Posts by Waldemar Kaiser (@waldemarkaiser.bsky.social)

Revealing Fast Ionic Conduction in Solid Electrolytes through Machine Learning Accelerated Raman Calculations Revealing Fast Ionic Conduction in Solid Electrolytes through Machine Learning Accelerated Raman Calculations, Grumet, Manuel, Miyagawa, Takeru, Pittet, Olivier, Pegolo, Paolo, Thalmann, Karin S., Kai...

πŸ” Can Raman spectroscopy see fast ion conduction in #batterymaterials? πŸ”¬
Our new work reveals how signatures of fast ionic motion in solid electrolytes emerge in Raman spectra, and that we can predict it with #ML-accelerated Raman calculations!
doi.org/10.1088/3050...
via @ioppublishing.bsky.social

07.02.2026 10:41 β€” πŸ‘ 0    πŸ” 1    πŸ’¬ 0    πŸ“Œ 0
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Scientists Discover Why Perovskite Surfaces Stay β€œTrap-Free” A new study published in ACS Energy Letters helps solve a puzzle at the heart of one of today’s most promising materials for solar cells

also check out TUM's feature on our work:
www.nat.tum.de/en/nat/lates...

23.06.2025 12:28 β€” πŸ‘ 0    πŸ” 0    πŸ’¬ 0    πŸ“Œ 0
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Machine-Learning Force Fields Reveal Shallow Electronic States on Dynamic Halide Perovskite Surfaces Previous studies indicated that defects in halide perovskites can generate shallow electronic states, which are crucial for their performance in devices. However, how shallow states persist amid prono...

🌞Excited to share our new work in ACS Energy Letters:
Machine-Learning Force Fields Reveal Shallow Electronic States on Dynamic Halide Perovskite Surfaces
πŸ“„ pubs.acs.org/doi/10.1021/...

ℹ️We show how atomic dynamics at perovskite surfaces suppress deep trap states
#perovskites #energymaterials

23.06.2025 12:24 β€” πŸ‘ 0    πŸ” 0    πŸ’¬ 1    πŸ“Œ 0

Why are halide perovskites so efficient? Part of their great performance is in their nature of electronic surface states. β˜€οΈ
In our preprint, we reveal the atomistic origins of benign surface states using machine-learning force fields πŸ€–.
Find out more in our recent preprint:
arxiv.org/abs/2502.19772

05.04.2025 12:18 β€” πŸ‘ 1    πŸ” 0    πŸ’¬ 0    πŸ“Œ 0
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Suppressing Halide Segregation in Wide‐Bandgap Perovskite Absorbers by Transamination of Formamidinium All-perovskite tandem solar cells are emerging at a fast rate because of their potential to exceed efficiencies of Si-perovskite tandems, in combination with faster manufacturing, lower cost and the ....

πŸ“£ Wide bandgap perovskites turn into low bandgap perovskites under illumination ... we propose a strategy to stabilize them! Check out our work "Suppressing halide segregation by transamination of formamidinium" πŸš€
chemistry-europe.onlinelibrary.wiley.com/doi/10.1002/...

05.04.2025 12:16 β€” πŸ‘ 1    πŸ” 0    πŸ’¬ 0    πŸ“Œ 0