ArticleJournal of the American Chemical Society2024
Mitigating Band Tailing in Kesterite Solar Absorbers: Ab Initio Quantum Dynamics.
Article in Journal of the American Chemical Society, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 4 papers.
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Who cites it
4 citing papers in PubMed.
- The Predictive Power of Chemical Bonding Analysis in Materials: A Perspective on Optoelectronic Properties.Journal of the American Chemical Society · 2025Review
- Orbital-Based Correlated Electron-Nuclear Dynamics for Extended Systems with Exact Factorization.Journal of chemical theory and computation · 2025Article
- Band Gap Engineering and Metastable Phase Discovery in CuJournal of the American Chemical Society · 2025Article
- Atomistic Origin of Microsecond Carrier Lifetimes at Perovskite Grain Boundaries: Machine Learning-Assisted Nonadiabatic Molecular Dynamics.Journal of the American Chemical Society · 2025Article
Corrections and comments
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Authors and funding
5 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Open-circuit voltage deficits are limiting factors in kesterite solar cells. Addressing this issue by suppressing band tailing and nonradiative charge recombination is essential for enhancing the performance. We employ ab initio nonadiabatic molecular dynamics to elucidate the origin of band tailing and charge losses and propose a mitigation strategy. The simulations show that Cu-Zn disorder, associated with antisite defect clusters [Cu
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Registered trials
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