Applying Classical, Ab Initio, and Machine-Learning Molecular Dynamics Simulations to the Liquid Electrolyte for Rechargeable Batteries

N Yao, X Chen, ZH Fu, Q Zhang - Chemical Reviews, 2022 - ACS Publications
Rechargeable batteries have become indispensable implements in our daily life and are
considered a promising technology to construct sustainable energy systems in the future …

A deeper understanding of metal nucleation and growth in rechargeable metal batteries through theory and experiment

ER Cooper, M Li, I Gentle, Q Xia… - Angewandte Chemie …, 2023 - Wiley Online Library
Lithium and sodium metal batteries continue to occupy the forefront of battery research.
Their exceptionally high energy density and nominal voltages are highly attractive for cutting …

Effect of the electric double layer (EDL) in multicomponent electrolyte reduction and solid electrolyte interphase (SEI) formation in lithium batteries

Q Wu, MT McDowell, Y Qi - Journal of the American Chemical …, 2023 - ACS Publications
Electrolytes, consisting of salts, solvents, and additives, must form a stable solid electrolyte
interphase (SEI) to ensure the performance and durability of lithium (Li)-ion batteries …

Improving the Mg sacrificial anode in tetrahydrofuran for synthetic electrochemistry by tailoring electrolyte composition

W Zhang, C Gu, Y Wang, SD Ware, L Lu, S Lin, Y Qi… - JACS Au, 2023 - ACS Publications
Mg0 is commonly used as a sacrificial anode in reductive electrosynthesis. While numerous
methodologies using a Mg sacrificial anode have been successfully developed, the …

Effect of the Formation Rate on the Stability of Anode-Free Lithium Metal Batteries

S Kim, PN Didwal, J Fiates, JA Dawson… - ACS Energy …, 2024 - ACS Publications
Anode-free Li-ion batteries (AFBs), where a Cu current collector is used to plate and strip Li
instead of a classic anode, are promising technologies to increase the energy density of …

The impact of electrode conductivity on electrolyte interfacial structuring and its implications on the Na 0/+ electrochemical performance

DA Rakov, J Sun, PV Cherepanov, K Arano… - Energy & …, 2023 - pubs.rsc.org
Molecular and ionic assemblies at electrode/liquid electrolyte interfaces, ie, the electric
double layer (EDL), define battery performance by directing the formation of stable …

Pathway toward Scalable Energy-Efficient Li-Mediated Ammonia Synthesis

NC Kani, I Goyal, JA Gauthier, W Shields… - … Applied Materials & …, 2024 - ACS Publications
Lithium-mediated ammonia synthesis (LiMAS) is an emerging electrochemical method for
NH3 production, featuring a meticulous three-step process involving Li+ electrodeposition …

Lithiophilic interface layer induced uniform deposition for dendrite-free lithium metal anodes in a 3D polyethersulfone frame

M Cao, X Huang, D Li, X Gao, L Sheng… - … Applied Materials & …, 2023 - ACS Publications
Lithium metal anodes possess ultrahigh theoretical specific capacity for next-generation
lithium metal batteries, but the infinite volume expansion and the growth of lithium dendrites …

Metal Nitride as a Mediator for the Electrochemical Synthesis of NH3

I Goyal, NC Kani, SA Olusegun… - ACS Energy …, 2024 - ACS Publications
The Haber-Bosch process has a massive carbon footprint, and it is highly desired to
decentralize NH3 synthesis in a more sustainable manner. Li-mediated NH3 …

Polar organic cations at electrified metal with superconcentrated ionic liquid electrolyte and implications for sodium metal batteries

DA Rakov, J Sun, SA Ferdousi, PC Howlett… - ACS Materials …, 2022 - ACS Publications
Understanding the potential-induced changes across the electrode/electrolyte interface, the
so-called electric double layer (EDL), is essential to adjust the working properties of energy …