A new battery-charging method suggested by molecular dynamics simulations
文献信息
Ibrahim Abou Hamad, D. O. Wipf, P. A. Rikvold
Based on large-scale molecular dynamics simulations, we propose a new charging method that should be capable of charging a lithium-ion battery in a fraction of the time needed when using traditional methods. This charging method uses an additional applied oscillatory electric field. Our simulation results show that this charging method offers a great reduction in the average intercalation time for Li+ ions, which dominates the charging time. The oscillating field not only increases the diffusion rate of Li+ ions in the electrolyte but, more importantly, also enhances intercalation by lowering the corresponding overall energy barrier.
相关文献
Thermoelectric Bi2Te3−xSex alloys for efficient thermal to electrical energy conversion
Omer Meroz, Yaniv Gelbstein
DOI: 10.1039/C7CP06176E
Triphenylamine based yellowish-orange light emitting organic dyes (donor–π–acceptor) for hybrid WLEDs and OLEDs: synthesis, characterization and theoretical study
Aravind Babu Kajjam, P. Shyam Vinod Kumar, V. Subramanian, Sivakumar Vaidyanathan
DOI: 10.1039/C7CP08670A
Ordering of lipid membranes altered by boron nitride nanosheets
Yonghui Zhang, Zhen Li, Chun Chan, Jiale Ma, Chunyi Zhi, Xiaolin Cheng
DOI: 10.1039/C7CP07136A
On the mechanism of rapid metal exchange between thiolate-protected gold and gold/silver clusters: a time-resolved in situ XAFS study
Bei Zhang, Olga V. Safonova, Stephan Pollitt, Giovanni Salassa, Annelies Sels, Rania Kazan, Yuming Wang, Günther Rupprechter, Noelia Barrabés, Thomas Bürgi
DOI: 10.1039/C7CP08272J
Experimental strategies for 13C–15N dipolar NMR spectroscopy in liquid crystals at the natural isotopic abundance
Lukas Jackalin, Boris B. Kharkov, Andrei V. Komolkin
DOI: 10.1039/C8CP04161J
Remarkable hydrogen storage properties of MgH2 doped with VNbO5
Antonio Valentoni, Gabriele Mulas, Stefano Enzo
DOI: 10.1039/C7CP07157D
Molecular investigation of the wettability of rough surfaces using molecular dynamics simulation
Hamzeh Yaghoubi, Masumeh Foroutan
DOI: 10.1039/C8CP03762K
Electron transport in polycyclic aromatic hydrocarbons/boron nitride hybrid structures: density functional theory combined with the nonequilibrium Green's function
S. F. K. S. Panahi, Afshin Namiranian, Maryam Soleimani, Maryam Jamaati
DOI: 10.1039/C7CP07260K
The fold preference and thermodynamic stability of α-synuclein fibrils is encoded in the non-amyloid-β component region
Liang Xu, Shayon Bhattacharya, Damien Thompson
DOI: 10.1039/C7CP08321A
您可能还喜欢
(3-氨苯基)环丙基甲酮(CAS号:162174-75-6)的主要用途是什么?
(3-氨苯基)环丙基甲酮主要用于合成化学中间体,特别是在药物化学领域作为原料。它还可以用于有机合成反应中,作为催化剂或反应物。
如何储存亚胺菌(CAS号:136470-79-6)?
亚胺菌应储存在干燥、阴凉处,避免直接暴露于光线下。建议使用密封容器储存,防止吸潮和污染。具体的储存条件应参考产品的安全数据表(MSDS)或药品说明书。
2-氯-2,2-二氟乙酰胺(CAS号:354-28-9)应用于哪些行业?
2-氯-2,2-二氟乙酰胺在医药、聚合物、传感器、半导体等领域有广泛应用。在医药领域,它作为中间体用于合成其他药物;在聚合物领域,用作聚合引发剂或稳定剂;在传感...
处理4-甲基-3-硝基-1,1-联苯(CAS号:53812-68-3)时应注意哪些实验室安全事项?
在处理4-甲基-3-硝基-1,1-联苯时,应佩戴手套、护目镜和实验室外套等个人防护装备(PPE),确保在通风橱中操作以减少吸入风险。若发生泄露,应立即使用沙子或...
(2S)-羟基(苯基)乙酸 (2R)-N-苄基-1-(4-甲氧基苯基)丙-2-胺盐(CAS号:188690-84-8)应用于哪些行业?
该化合物广泛应用于医药、聚合物和半导体行业。在医药领域,它是某些药物中间体的重要组成部分;在聚合物领域,可用作增塑剂;在半导体行业,可用于制造光刻胶。
在合成中是否有芬苯哒唑砜-D3标准品(CAS号:1228182-49-7)的替代品?
芬苯哒唑砜-D3标准品的替代品可能包括类似的苯并咪唑类化合物,如芬苯哒唑本身或其非同位素标记版本。这些替代品在结构上与芬苯哒唑砜-D3相似,但在具体应用中需进行...
2-氟-4-硝基苯乙酸(CAS号:315228-19-4)通常如何合成?
2-氟-4-硝基苯乙酸可以通过一系列化学反应合成,通常是从4-氟苯胺开始,首先进行硝化反应生成4-氟-2-硝基苯胺,然后进行乙酰化反应得到目标产物。具体的合成步...
2-氟-4-甲氧基苯乙酸(CAS号:883531-28-0)通常如何合成?
2-氟-4-甲氧基苯乙酸通常通过将4-甲氧基苯乙酸与氟化试剂(如氟化氰)反应来合成。反应通常在无水条件下进行,使用催化剂如六氟磷酸锂或四氟硼酸锂以提高选择性和产...
什么是4SC 202;4SC202(CAS号:1186222-89-8)?
4SC 202;4SC202是一种化学化合物,其化学名称为(2E)-N-(2-氨基苯基)-3-(1-{[4-(1-甲基-1H-吡唑-4-基)苯基]磺酰基}-1H...
来源期刊
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.













![(2E)-4-[(1R,2S,8R,19S,21R)-14-Hydroxy-11-isopropenyl-8,23,23-trimethyl-5-(3-methyl-2-buten-1-yl)-16,20-dioxo-3,7,22-trioxaheptacyclo[17.4.1.1~8,12~.0~2,17~.0~2,21~.0~4,15~.0~6,13~]pentacosa-4(15),5,13
,17-tetraen-21-yl]-2-methyl-2-butenoic acid structure (2E)-4-[(1R,2S,8R,19S,21R)-14-Hydroxy-11-isopropenyl-8,23,23-trimethyl-5-(3-methyl-2-buten-1-yl)-16,20-dioxo-3,7,22-trioxaheptacyclo[17.4.1.1~8,12~.0~2,17~.0~2,21~.0~4,15~.0~6,13~]pentacosa-4(15),5,13
,17-tetraen-21-yl]-2-methyl-2-butenoic acid structure](https://cnstatic.chemtradehub.com/structs/173/173867-04-4-d2d3.webp)
