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Keyword [first-principles calculations]
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1. First Principles Calculations Of The Ground State And Defect Properties Of Lithium-based Ceramics And Experimental Study Of The Deuterium Behavior In The Lithium Silicate
2. First-principles Calculations On Li2MSiO4(M=Fe,Mn) Cathode Materials For Lithium-ion Batteries
3. Preliminary Study On Hydrogen Transport Behavior In Lithium Hydride
4. Study Of First-principles Calculations And Super-exchange Effect In Olivine Lifepo4 As Cathode Materials For Li-ion Batteries
5. First-Principles Study Of Graphene For Potential Anode Materials Of Lithium Ion Batteries
6. First-Principle Studies Of Cathode Materials LiFePO4 And Its Doped Systems For Lithium Ion Batteries
7. First-Principles Calculations On Structural, Magnetic And Multiferroic Properties Of Rare-earth Based Perovskites
8. Simulations For The Hydrogen Permeation Processes And Relevant Material Properties In Ceramic Proton Conductors
9. First-principles Calculations And Mesoscale Simulations Of The New Energy Battery Materials
10. Lattice Structures And Electronic Properties Of CIGS/CDS Interface From First-principles Calculations
11. Molecular Engineering And Characterization Of Organic Sensitizers Utilized In Dye-sensitized Solar Cells Toward High Efficiency Performance From First-principles Calculations
12. Vibrational Contribution To The Thermodynamic Properties Of Positive Material LiCoO2in Li-ion Battery: From The First Principles Calculations
13. Modification Of Solid Oxide Fuel Cells Cathode La1-xSrxCo1-yFeyO3-δ:a First-principles Study
14. Electronic Structure And Magnetism In Doped CoO And Ferromagnet/Mo S2 Interfaces: A First-principles Study
15. Study On The Critical Parameters Of Nb3Sn And Nb3Al Under Mechanical Deformation Based On The First-principles Calculations
16. Exploring The Modification Mechanism Of Electrode Materials For Lithium-ion Batteries: First-principles Calculations
17. First-Principles Calculations Of Pressure Effects On Perovskite-type Ferroelectric And Magnetic Materials
18. Lattice Structures And Electronic Properties Of WZ-CdS/WZ-CuInS2/MoS2 Interface From First-principles Calculations
19. Investigation On The Effect Of Silicon On The Formation And Transformation Of Carbides In GH3535 Superalloy
20. Preparation And Modification Of The High Voltage LiMnPO4 Cathode And Study On The Performance Of Full Battery
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