50 results on '"Sai Gautam, Gopalakrishnan"'
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2. Fluoride Frameworks as Potential Calcium Battery Cathodes
3. Performance of the r2SCAN Functional in Transition Metal Oxides
4. Reversible Electrochemical Lithium Cycling in a Vanadium(IV)- and Niobium(V)-Based Wadsley–Roth Phase
5. Multiple and nonlocal cation redox in Ca–Ce–Ti–Mn oxide perovskites for solar thermochemical applications
6. Study of pnictides for photovoltaic applications
7. Exploration of NaSICON Frameworks as Calcium-Ion Battery Electrodes
8. Critical overview of polyanionic frameworks as positive electrodes for Na-ion batteries
9. Effect of exchange-correlation functionals on the estimation of migration barriers in battery materials
10. Theoretical and Experimental Studies of ion Transport in Mixed Polyanion Solid Electrolytes
11. Design and Characterization of Host Frameworks for Facile Magnesium Transport
12. Exploration of NaSICON Frameworks as Calcium-ion Battery Electrodes
13. Rational Design of Mixed Polyanion Electrodes NaxV2P3–i(Si/S)iO12 for Sodium Batteries
14. The resistive nature of decomposing interfaces of solid electrolytes with alkali metal electrodes
15. Thermodynamic guiding principles of high-capacity phase transformation materials for splitting H2O and CO2 by thermochemical looping
16. First principles investigation of anionic redox in bisulfate lithium battery cathodes
17. Searching Ternary Oxides and Chalcogenides as Positive Electrodes for Calcium Batteries
18. Assessing cathode property prediction via exchange-correlation functionals with and without long-range dispersion corrections
19. Exploring Ca–Ce–M–O (M = 3d Transition Metal) Oxide Perovskites for Solar Thermochemical Applications
20. A Chemical Map of NaSiCON Electrode Materials for Sodium-ion Batteries
21. A Chemical Map of NaSiCON Electrode Materials for Sodium-ion Batteries
22. Phase Behavior in Rhombohedral NaSiCON Electrolytes and Electrodes
23. A First‐Principles‐Based Sub‐Lattice Formalism for Predicting Off‐Stoichiometry in Materials for Solar Thermochemical Applications: The Example of Ceria
24. Phase Behavior in NaSiCON Electrolytes and Electrodes
25. Phase Behavior in Rhombohedral NaSiCON Electrolytes and Electrodes
26. Evaluating optimal U for 3d transition-metal oxides within the SCAN+ U framework
27. Probing Mg Migration in Spinel Oxides
28. Suppressed Deep Traps and Bandgap Fluctuations in Cu2CdSnS4 Solar Cells with ≈8% Efficiency
29. Ionic Transport in Potential Coating Materials for Mg Batteries
30. Designing interfaces in energy materials applications with first-principles calculations
31. Role of Na and Ca as Isovalent Dopants in Cu2ZnSnS4 Solar Cells
32. Evaluation of Mg Compounds as Coating Materials in Mg Batteries
33. Shear-Assisted Formation of Cation-Disordered Rocksalt NaMO2 (M = Fe or Mn)
34. Novel Solar Cell Materials: Insights from First-Principles
35. Evaluating transition metal oxides within DFT-SCAN and SCAN+U frameworks for solar thermochemical applications
36. Understanding the Effects of Cd and Ag Doping in Cu2ZnSnS4 Solar Cells
37. On the Balance of Intercalation and Conversion Reactions in Battery Cathodes
38. Particle Morphology and Lithium Segregation to Surfaces of the Li7La3Zr2O12 Solid Electrolyte
39. First-Principles Study of the Voltage Profile and Mobility of Mg Intercalation in a Chromium Oxide Spinel
40. High magnesium mobility in ternary spinel chalcogenides
41. Role of Point Defects in Spinel Mg Chalcogenide Conductors
42. Influence of Inversion on Mg Mobility and Electrochemistry in Spinels
43. Odyssey of Multivalent Cathode Materials: Open Questions and Future Challenges
44. Influence of inversion on Mg mobility and electrochemistry in spinels
45. Influence of inversion on Mg mobility and electrochemistry in spinels
46. Magnesium ion mobility in post-spinels accessible at ambient pressure
47. Structural Evolution of Reversible Mg Insertion into a Bilayer Structure of V2O5·nH2O Xerogel Material
48. Role of Structural H2O in Intercalation Electrodes: The Case of Mg in Nanocrystalline Xerogel-V2O5
49. Materials Design Rules for Multivalent Ion Mobility in Intercalation Structures
50. The Intercalation Phase Diagram of Mg in V2O5 from First-Principles
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