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Computational Design of Battery Materials

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论文数23
被引数0
期刊论文 23
发表时间
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Theoretical Approaches for the Determination of Defect and Transport Properties in Selected Battery Materials确定选定电池材料中缺陷和传输特性的理论方法
deleteCOMPUTATIONAL DESIGN OF BATTERY MATERIALS
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delete2024-07-05
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deleteZulueta, Yohandys A.; My Phuong Pham-Ho; Minh Tho Nguyen
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Rational Design of Battery Materials Through Spectroscopic Characterization and Computational Modeling of Redox Orbitals
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deleteSuzuki, Kosuke; Hafiz, Hasnain; Kothalawala, Veenavee Nipunika; Barbiellini, Bernardo; Sakurai, Hiroshi; Bansil, Arun
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Modeling Ionic Transport and Disorder in Crystalline Electrodes Using Percolation Theory
deleteCOMPUTATIONAL DESIGN OF BATTERY MATERIALS
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deleteUrban, Alexander
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Design of Improved Cathode Materials by Intermixing Transition Metals in Sodium-Iron Sulphate and Sodium Manganate for Sodium-Ion Batteries钠离子电池用硫酸铁钠和锰酸钠混合过渡金属改进正极材料的设计
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deleteYu, Chol-Jun; Jong, Un-Gi; Kye, Yun-Hyok; Kim, Yun-Sim
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Sodium Intercalation into Graphite and Graphene Complexes Towards Advanced Sodium-Ion Battery Anode Materials钠嵌入石墨和石墨烯复合物中制备先进的钠离子电池负极材料
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deleteChoe, Song-Hyok; Ri, Kum-Chol; Hong, Song-Nam; Ryu, Chol; Yu, Chol-Jun
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Crystal Structure Prediction for Battery Materials电池材料的晶体结构预测
deleteCOMPUTATIONAL DESIGN OF BATTERY MATERIALS
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deleteLu, Ziheng; Zhu, Bonan
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Machine Learning Methods for the Design of Battery Manufacturing Processes
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deleteLiu, Kailong; Niri, Mona Faraji; Apachitei, Geanina; Greenwood, David; Marco, James
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Many-Particle Na-Ion Dynamics in NaMPO4 Olivine Phosphates (M = Mn, Fe)
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deleteFlack, T.; Jobbins, S. A.; Boulfelfel, S. E.; Leoni, S.
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Role of Adsorption Energy in the Design of Battery Materials: A DFT Perspective
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deleteKhan, Muhammad Isa; Aslam, Sheeza; Shakil, Muhammad
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Theoretical Investigations of Layered Anode Materials层状阳极材料的理论研究
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deleteElomrani, Abdelali; Lamhani, Mohammed; Oukahou, Said; Maymoun, Mohammad; Etrini, Ayoub; Sbiaai, Khalid; Hasnaoui, Abdellatif
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Design of Battery Materials via Defects and Doping
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deleteHoang, Khang
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Ab Initio Interfacial Electrochemistry Applied to Understanding, Tuning and Designing Battery Chemistry
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deleteHagopian, Arthur; Lautar, Anja Kopac; Filhol, Jean-Sebastien
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Electrolyte-Electrode Interfaces: A Review of Computer Simulations电解质-电极界面: 计算机模拟综述
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deleteMendez-Morales, Trinidad; Montes-Campos, Hadrian; Diddens, Diddo; Schroeder, Christian; Varela, Luis M.
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First-Principles Calculations for Lithium-Sulfur Batteries锂硫电池的第一性原理计算
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deleteHe, Qiu; Xiao, Wenshan; Wu, Mingwei; Zhao, Yan
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Introduction: Battery Materials: Bringing It All Together for Tomorrow's Energy Storage Needs
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deleteHanaor, Dorian A. H.
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Combining Molecular Simulations with Modern Experiments to Design Ionic Liquid-Based Battery Electrolytes将分子模拟与现代实验相结合，设计基于离子液体的电池电解质
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deleteChen, Fangfang; O'Dell, Luke A.; Pal, Urbi; Forsyth, Maria
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Ab Initio Modeling of Layered Oxide High-Energy Cathodes for Na-Ion BatteriesNa离子电池用层状氧化物高能阴极的从头算建模
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deleteMassaro, Arianna; Fasulo, Francesca; Langella, Aniello; Munoz-Garcia, Ana B.; Pavone, Michele
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Atomistic Simulations of Battery Materials and Processes
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deleteDas, Tridip; Yang, Moon Young; Merinov, Boris V.; Goddard, William A., III
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Applications of Ab Initio Molecular Dynamics for Modeling Batteries从头算分子动力学在电池建模中的应用
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deleteYoung, Joshua; Smeu, Manuel
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Nanoscale Modelling of Substitutional Disorder in Battery Materials电池材料中替代无序的纳米级建模
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deleteAziz, Alex; Arcelus, Oier; Gallo-Bueno, Alfonso; Golov, Andrey; Lakuntza, Oier; Carrasco, Javier
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