Origin and characterization of the oxygen loss phenomenon in the layered oxide cathodes of Li-ion batteries
J Feng, Z Chen, W Zhou, Z Hao - Materials Horizons, 2023 - pubs.rsc.org
Li-ion batteries have been widely applied in the field of energy storage due to their high
energy density and environment friendliness. Owing to their high capacity of∼ 200 mA hg …
energy density and environment friendliness. Owing to their high capacity of∼ 200 mA hg …
Pushing the boundaries of lithium battery research with atomistic modelling on different scales
Computational modelling is a vital tool in the research of batteries and their component
materials. Atomistic models are key to building truly physics-based models of batteries and …
materials. Atomistic models are key to building truly physics-based models of batteries and …
The physical origin of the activation barrier in Li-ion intercalation processes: the overestimated role of desolvation
PM Chekushkin, IS Merenkov, VS Smirnov… - Electrochimica …, 2021 - Elsevier
The energetically hindered step of lithium-ion desolvation in the course of ion intercalation
into cathode or anode materials for Li-ion batteries is frequently considered to be …
into cathode or anode materials for Li-ion batteries is frequently considered to be …
Investigating the mechanism of lithium transport at solid electrolyte interphases
Reactions between carbonate electrolytes and graphite electrodes in lithium-ion storage
devices produce a surface film of byproducts known as the solid electrolyte interphase (SEI) …
devices produce a surface film of byproducts known as the solid electrolyte interphase (SEI) …
Practical approach to large-scale electronic structure calculations in electrolyte solutions via continuum-embedded linear-scaling density functional theory
We present the implementation of a hybrid continuum-atomistic model for including the
effects of a surrounding electrolyte in large-scale density functional theory (DFT) calculations …
effects of a surrounding electrolyte in large-scale density functional theory (DFT) calculations …
Modification of the LiFePO4 (010) Surface Due to Exposure to Atmospheric Gases
First-principles thermodynamics enables the description of the surface chemistry of
inorganic materials as a function of temperature and partial pressures of atmospheric gases …
inorganic materials as a function of temperature and partial pressures of atmospheric gases …
Monte Carlo-and simulated-annealing-based funneled approach for the prediction of cation ordering in mixed transition-metal oxide materials
The development of cathode materials with good electrochemical performance is vital to the
effort to design rechargeable batteries for applications such as electric mobility. Li …
effort to design rechargeable batteries for applications such as electric mobility. Li …
Adsorption Preference of HF over Ethylene Carbonate Leads to Dominant Presence of Fluoride Products in LiFePO4 Cathode–Electrolyte Interface in Li-Ion Batteries
The electrolyte in Li-ion batteries is a Li-containing salt, such as LiPF6, dissolved in an
organic solvent, such as ethylene carbonate (EC). LiPF6 reacts with trace amount of water …
organic solvent, such as ethylene carbonate (EC). LiPF6 reacts with trace amount of water …
[PDF][PDF] Charge transfer through interfaces in metal-ion intercalation systems
The kinetics of metal-ion batteries determine both the rate-capability of the full cells and the
implausible events of metal plating on anodes, which are caused by the increased …
implausible events of metal plating on anodes, which are caused by the increased …
Recent research trend in electrodes of lithium ion battery based on computational materials science approaches
H Kang, SG Lee - Prospectives of Industrial Chemistry, 2020 - koreascience.kr
계속적인 충· 방전이 가능하여 반영구적으로 사용이 가능한 2 차 전지는 친환경 소재로
주목받고 있으며, 노트북 컴퓨터와 휴대전화, 캠코더 등 소형 전자기기뿐만 아니라 …
주목받고 있으며, 노트북 컴퓨터와 휴대전화, 캠코더 등 소형 전자기기뿐만 아니라 …