Interfacial structure and electrochemical stability of electrolytes: methylene methanedisulfonate as an additive
Literature Information
Yamin Wang, Xiaoying Yu, Yingchun Liu, Qi Wang
The mechanism responsible for widening the electrochemical stability window of methylene methanedisulfonate (MMDS)-containing electrolytes compared to conventional carbonate electrolytes is suggested based on molecular dynamics (MD) simulations and density functional theory (DFT) calculations. We find that MMDS has a stronger reduction ability and higher affinity for the electrode surface than solvents, and these behaviors provide an important condition for priority decomposition of the additive. The addition of MMDS could reduce the probability of finding solvent–ion complexes at the electrolyte–electrode interface, which is especially beneficial for the stability of the solvent electrochemical window. This knowledge of the local electrolyte composition and structure at the surface plays a significant role in advancing our understanding of the relationships between interface structure and battery cycling performance, and expanding the operating windows of electrochemical devices.
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Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.











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