| Lead‐Free Halide Double Perovskite Cs2AgBiBr6 with Decreased Band Gap F Ji, J Klarbring, F Wang, W Ning, L Wang, C Yin, JSM Figueroa, ... Angewandte Chemie 132 (35), 15303-15306, 2020 | 134 | 2020 |
| Thermochromic lead‐free halide double perovskites W Ning, XG Zhao, J Klarbring, S Bai, F Ji, F Wang, SI Simak, Y Tao, ... Advanced Functional Materials 29 (10), 1807375, 2019 | 134 | 2019 |
| Anharmonicity and ultralow thermal conductivity in lead-free halide double perovskites J Klarbring, O Hellman, IA Abrikosov, SI Simak Physical Review Letters 125 (4), 045701, 2020 | 100 | 2020 |
| Near‐Infrared Light‐Responsive Cu‐Doped Cs2AgBiBr6 F Ji, Y Huang, F Wang, L Kobera, F Xie, J Klarbring, S Abbrent, J Brus, ... Advanced Functional Materials 30 (51), 2005521, 2020 | 68 | 2020 |
| Nature of the octahedral tilting phase transitions in perovskites: A case study of J Klarbring, SI Simak Physical Review B 97 (2), 024108, 2018 | 48 | 2018 |
| Low-energy paths for octahedral tilting in inorganic halide perovskites J Klarbring Physical Review B 99 (10), 104105, 2019 | 40 | 2019 |
| Diverging Expressions of Anharmonicity in Halide Perovskites A Cohen, TM Brenner, J Klarbring, R Sharma, DH Fabini, R Korobko, ... Advanced Materials, 2107932, 2022 | 35 | 2022 |
| Superioniclike diffusion in an elemental crystal: bcc titanium DG Sangiovanni, J Klarbring, D Smirnova, NV Skripnyak, D Gambino, ... Physical review letters 123 (10), 105501, 2019 | 33 | 2019 |
| Analysis of dihydrogen bonding in ammonium borohydride S Filippov, JB Grinderslev, MS Andersson, J Armstrong, M Karlsson, ... The Journal of Physical Chemistry C 123 (47), 28631-28639, 2019 | 24 | 2019 |
| Ionic conductivity in Gd-doped : Ab initio color-diffusion nonequilibrium molecular dynamics study JO Nilsson, OY Vekilova, O Hellman, J Klarbring, SI Simak, ... Physical Review B 93 (2), 024102, 2016 | 22 | 2016 |
| Finite-temperature lattice dynamics and superionic transition in ceria from first principles J Klarbring, NV Skorodumova, SI Simak Physical Review B 97 (10), 104309, 2018 | 20 | 2018 |
| Free energy predictions for crystal stability and synthesisability K Tolborg, J Klarbring, AM Ganose, A Walsh Digital Discovery 1 (5), 586-595, 2022 | 18 | 2022 |
| Dynamic local structure in caesium lead iodide: Spatial correlation and transient domains WJ Baldwin, X Liang, J Klarbring, M Dubajic, D Dell'Angelo, C Sutton, ... Small 20 (3), 2303565, 2024 | 12 | 2024 |
| Phase stability of dynamically disordered solids from first principles J Klarbring, SI Simak Physical review letters 121 (22), 225702, 2018 | 12 | 2018 |
| Lattice Dynamics and Electron–Phonon Coupling in Double Perovskite Cs2NaFeCl6 B Zhang, J Klarbring, F Ji, SI Simak, IA Abrikosov, F Gao, GY Rudko, ... The Journal of Physical Chemistry C 127 (4), 1908-1916, 2023 | 11 | 2023 |
| Na–Ni–H Phase Formation at High Pressures and High Temperatures: Hydrido Complexes [NiH5]3– Versus the Perovskite NaNiH3 K Spektor, WA Crichton, S Filippov, J Klarbring, SI Simak, A Fischer, ... Acs Omega 5 (15), 8730-8743, 2020 | 10 | 2020 |
| Unraveling Hidden Mg–Mn–H Phase Relations at High Pressures and Temperatures by in Situ Synchrotron Diffraction K Spektor, WA Crichton, S Konar, S Filippov, J Klarbring, SI Simak, ... Inorganic Chemistry 57 (3), 1614-1622, 2018 | 10 | 2018 |
| Ionic conductivity in Sm-doped ceria from first-principles non-equilibrium molecular dynamics J Klarbring, OY Vekilova, JO Nilsson, NV Skorodumova, SI Simak Solid State Ionics 296, 47-53, 2016 | 10 | 2016 |
| Electronic structure of the magnetic halide double perovskites from first principles J Klarbring, U Singh, SI Simak, IA Abrikosov Physical Review Materials 7 (4), 044605, 2023 | 8 | 2023 |
| Imperfections are not 0 K: free energy of point defects in crystals I Mosquera-Lois, SR Kavanagh, J Klarbring, K Tolborg, A Walsh Chemical Society Reviews, 2023 | 8 | 2023 |
