55 citations · 128 across the 10 of their papers we have counts for
11 papers
Thermal history controls the optoelectronic response of lead halide perovskites through structure and dynamics
Milos Dubajic, Xia Liang, Johan Klarbring +26
Lead halide perovskites are promising optoelectronic materials for photovoltaics, light emission and detection. Their efficiencies in PV now approach the detailed-balance limit, le…
Barocaloric phase transformation from data efficient fine-tuning of machine learned interatomic potentials
Ludwig Hedin, Johan Klarbring
Solid-state cooling based on the barocaloric (BC) effect has emerged as promising environmentally friendly prospective alternative to conventional vapor-compression refrigeration.…
Kinetically Arrested Twin-Domain State in Formamidinium Lead Iodide
Xia Liang, Milos Dubajic, Zezhu Zeng +4
Hybrid lead halide perovskites exhibit a delicate interplay between average crystallographic symmetry, local structural disorder and A-site orientational dynamics, giving rise to u…
The diffusion-driven orthorhombic to tetragonal transition in YBaCuO derived with a machine learning interatomic potential
Davide Gambino, Niccolò Di Eugenio, Jesper Byggmästar +4
Defects in high temperature superconductors such as YBaCuO (YBCO) critically influence their superconducting behavior, as they substantially degrade or even suppress su…
Phase Stability and Transformations in Lead Mixed Halide Perovskites from Machine Learning Force Fields
Xia Liang, Johan Klarbring, Aron Walsh
Lead halide perovskites (APbX) offer tunable optoelectronic properties but feature an intricate phase-stability landscape. Here we employ on-the-fly data collection and an equi…
Point defect formation at finite temperatures with machine learning force fields
Irea Mosquera-Lois, Johan Klarbring, Aron Walsh
Point defects dictate the properties of many functional materials. The standard approach to modelling the thermodynamics of defects relies on a static description, where the change…
Dynamic Nanodomains Dictate Macroscopic Properties in Lead Halide Perovskites
Milos Dubajic, James R. Neilson, Johan Klarbring +26
Empirical A-site cation substitution has advanced the stability and efficiency of hybrid organic-inorganic lead halide perovskites solar cells and the functionality of X-ray detect…
Na Vacancy Driven Phase Transformation and Fast Ion Conduction in W-doped NaSbS from Machine Learning Force Fields
Johan Klarbring, Aron Walsh
Solid-state sodium batteries require effective electrolytes that conduct at room temperature. The NaSbS (Pn = P, Sb; Ch = S, Se) family have been studied for their high Na…
Imperfections are not 0 K: free energy of point defects in crystals
Irea Mosquera-Lois, Seán R. Kavanagh, Johan Klarbring +2
Defects determine many important properties and applications of materials, ranging from doping in semiconductors, to conductivity in mixed ionic-electronic conductors used in batte…
Structural Dynamics Descriptors for Metal Halide Perovskites
Xia Liang, Johan Klarbring, William Baldwin +3
Metal halide perovskites have shown extraordinary performance in solar energy conversion technologies. They have been classified as "soft semiconductors" due to their flexible corn…
Dynamic Local Structure in Caesium Lead Iodide: Spatial Correlation and Transient Domains
William Baldwin, Xia Liang, Johan Klarbring +8
Metal halide perovskites are multifunctional semiconductors with tunable structures and properties. They are highly dynamic crystals with complex octahedral tilting patterns and st…