[HTML][HTML] Classical and reactive molecular dynamics: Principles and applications in combustion and energy systems

Q Mao, M Feng, XZ Jiang, Y Ren, KH Luo… - Progress in Energy and …, 2023 - Elsevier
Molecular dynamics (MD) has evolved into a ubiquitous, versatile and powerful
computational method for fundamental research in science branches such as biology …

Carbon‐based Flame Retardants for Polymers: A Bottom‐up Review

GH Yeoh, IM De Cachinho Cordeiro… - Advanced …, 2024 - Wiley Online Library
This state‐of‐the‐art review is geared toward elucidating the molecular understanding of the
carbon‐based flame‐retardant mechanisms for polymers via holistic characterization …

Laser-induced MXene-functionalized graphene nanoarchitectonics-based microsupercapacitor for health monitoring application

S Deshmukh, K Ghosh, M Pykal, M Otyepka… - ACS …, 2023 - ACS Publications
Microsupercapacitors (micro-SCs) with mechanical flexibility have the potential to
complement or even replace microbatteries in the portable electronics sector, particularly for …

Electricity generated by upstream proton diffusion in two-dimensional nanochannels

H **a, W Zhou, X Qu, W Wang, X Wang, R Qiao… - Nature …, 2024 - nature.com
The movement of ions along the pressure-driven water flow in narrow channels, known as
downstream ionic transport, has been observed since 1859 to induce a streaming potential …

Low pressure reversibly driving colossal barocaloric effect in two-dimensional vdW alkylammonium halides

YH Gao, DH Wang, FX Hu, QZ Huang, YT Song… - Nature …, 2024 - nature.com
Plastic crystals as barocaloric materials exhibit the large entropy change rivalling freon,
however, the limited pressure-sensitivity and large hysteresis of phase transition hinder the …

Fe3C/nanocarbon‐Enabled Lithium Dendrite Mitigation in Lithium–Sulfur batteries

R Chen, Y Zhou, X Li - Small, 2024 - Wiley Online Library
Lithium dendrite‐induced short circuits and material loss are two major obstacles to the
commercialization of lithium–sulfur (Li− S) batteries. Here, a nanocarbon composite …

Greenly growing carbon nanotubes on graphene for high-performance lithium–sulfur batteries

Y Zhou, R Chen, Z Gao, J He, X Li - Materials Today Energy, 2023 - Elsevier
The expanding energy storage market in response to global decarbonization goals
generates countless waste, causing severe environmental issues. To address this dilemma …

Electron delocalization and electrochemical potential distribution phenomena in faradaic electrode materials for understanding electrochemical behavior

Y Zhu, S Deebansok, J Deng, X Wang… - Advanced Energy …, 2024 - Wiley Online Library
Electrochemical energy storage devices are built upon the foudations of batteries and
supercapacitors. In the past decade, new pseudocapacitor‐like electrodes are intensively …

Reversible constrained dissociation and reassembly of MXene films

X Zhang, X Liu, Q Liu, Y Feng, S Qiu, T Wang… - Advanced …, 2024 - Wiley Online Library
Enabling materials to undergo reversible dynamic transformations akin to the behaviors of
living organisms represents a critical challenge in the field of material assembly. The pursuit …

Metal Cation Pre-Intercalated Ti3C2Tx MXene as Ultra-High Areal Capacitance Electrodes for Aqueous Supercapacitors

K Prenger, Y Sun, K Ganeshan… - ACS Applied Energy …, 2022 - ACS Publications
Two-dimensional transition-metal carbides and nitrides “MXenes” have demonstrated great
potential as electrode materials for electrochemical energy storage systems. This is …