2.9k citations
Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.
- Centre National de la Recherche ScientifiqueFR147 papers
- University of OxfordGB114 papers
- University of CambridgeGB88 papers
- Max Planck Institute for Extraterrestrial PhysicsDE84 papers
- University of BristolGB80 papers
- University College LondonGB78 papers
- Center for Astrophysics Harvard & SmithsonianUS72 papers
- Space Telescope Science InstituteUS72 papers
- National Institute for AstrophysicsIT71 papers
- University of EdinburghGB69 papers
- University of WarwickGB69 papers
- University of CopenhagenDK63 papers
11 papers · 2 filters
Interfacial Strain Effects on Lithium Diffusion Pathways in the Spinel Solid Electrolyte Li-Doped MgAlO
Conn O'Rourke, Benjamin J. Morgan
(Li,Al)-co-doped magnesium spinel (LiMgAlO) is a solid lithium-ion electrolyte with potential use in all-solid-state lithium-ion batteries. Interfaces with…
Self-consistent hybrid functional calculations: Implications for structural, electronic, and optical properties of oxide semiconductors
Daniel Fritsch, Benjamin J. Morgan, Aron Walsh
The development of new exchange-correlation functionals within density functional theory means that increasingly accurate information is accessible at moderate computational cost.…
Role of point defects in spinel Mg chalcogenide conductors
Pieremanuele Canepa, Gopalakrishnan Sai Gautam, Danny Broberg +2
Close-packed chalcogenide spinels, such as MgScSe, MgInS and MgScS, show potential as solid electrolytes in Mg batteries, but are affected by non-negligible…
Spontaneous Octahedral Tilting in the Cubic Inorganic Caesium Halide Perovskites CsSnX and CsPbX (X = F, Cl, Br, I)
Ruo Xi Yang, Jonathan M. Skelton, E. Lora da Silva +2
The local crystal structures of many perovskite-structured materials deviate from the average space group symmetry. We demonstrate, from lattice-dynamics calculations based on quan…
Slow cooling of hot polarons in halide perovskite solar cells
Jarvist Moore Frost, Lucy D. Whalley, Aron Walsh
Halide perovskites show unusual thermalisation kinetics for above bandgap photo-excitation. We explain this as a consequence of excess energy being deposited into discrete large po…
The role of spin-orbit coupling in the electronic structure of IrO
Pranab Kumar Das, Jagoda Sławińska, Ivana Vobornik +15
The delicate interplay of electronic charge, spin, and orbital degrees of freedom is in the heart of many novel phenomena across the transition metal oxide family. Here, by combini…
Perovskites for Solar and Thermal Energy Harvesting: State of the Art Technologies, Current Scenario and Future Directions
Richa Pandey, Gaurav Vats, Jae Yun +3
Solar energy is anticipated to be the most viable source of sustainable green energy. Perovskites have gained significant research attention in recent years as a solar energy harve…
Electronic bandstructure of ReS2 by high resolution angle resolved photoemission spectroscopy
James L. Webb, Lewis S. Hart, Daniel Wolverson +3
The rhenium-based transition metal dichalcogenides (TMDs) are atypical of the TMD family due to their highly anisotropic crystalline structure and are recognized as promising mater…
Calculating polaron mobility in halide perovskites
Jarvist Moore Frost
Lead halide perovskite semiconductors are soft, polar, materials. The strong driving force for polaron formation (the dielectric electron-phonon coupling) is balanced by the light…
Chemical and Lattice Stability of the Tin Sulfides
Jonathan M. Skelton, Lee A. Burton, Fumiyasu Oba +1
The tin sulfides represent a materials platform for earth-abundant semiconductor technologies. We present a first-principles study of the five known and proposed phases of SnS toge…
Perspective: Theory and simulation of hybrid halide perovskites
Lucy D. Whalley, Jarvist M. Frost, Young-Kwang Jung +1
Organic-inorganic halide perovskites present a number of challenges for first-principles atomistic materials modelling. These `plastic crystals' feature dynamic processes across mu…