4 papers
Local B-site chemistry controls oxygen-vacancy energetics in Ca-Ce-Ti-Mn perovskites for thermochemical hydrogen production
Manish Kumar, Natalia Ali, Matthew D. Witman +5
Two-step thermochemical water splitting driven by concentrated solar heat is a scalable route to renewable hydrogen, but it requires oxides whose oxygen-vacancy formation energies…
Role of Wadsley Defects and Cation Disorder to Enhance MoNb12O33 Diffusion
CJ Sturgill, Manish Kumar, Nima Karimitari +8
Wadsley-Roth (WR) niobates have emerged as high-rate anode materials that can combine rapid ionic diffusion with good electronic conductivity. WR compounds have been defect-enhance…
Combined Experimental and Computational Analysis of Lithium Diffusion in Isostructural Pair VNb9O25 and VTa9O25
Manish Kumar, Md Abdullah Al Muhit, CJ Sturgill +6
Wadsley-Roth crystal structures are an attractive class of materials for batteries because lithium diffusion is facilitated by the ReO3-like block structure with electron transport…
Computational screening and experimental validation of promising Wadsley-Roth Niobates
Zachary J. L. Bare, CJ Sturgill, Manish Kumar +5
The growing demand for efficient, high-capacity energy storage systems has driven extensive research into advanced materials for lithium-ion batteries. Among the various candidates…