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Computational Design of Battery Materials

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Papers21
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Journal Papers 23
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Theoretical Approaches for the Determination of Defect and Transport Properties in Selected Battery Materials
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
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delete2024-07-05
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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
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delete2024-07-05
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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
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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
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delete2024-07-05
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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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delete2024-07-05
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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)
deleteCOMPUTATIONAL DESIGN OF BATTERY MATERIALS
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delete2024-07-05
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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
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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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delete2024-07-05
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deleteHagopian, Arthur; Lautar, Anja Kopac; Filhol, Jean-Sebastien
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Electrolyte-Electrode Interfaces: A Review of Computer Simulations
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delete2024-07-05
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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
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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
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delete2024-07-05
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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 Batteries
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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
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deleteYoung, Joshua; Smeu, Manuel
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Nanoscale Modelling of Substitutional Disorder in Battery Materials
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delete2024-07-05
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deleteAziz, Alex; Arcelus, Oier; Gallo-Bueno, Alfonso; Golov, Andrey; Lakuntza, Oier; Carrasco, Javier
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