Zobrazeno 1 - 10
of 656
pro vyhledávání: '"Klarbring, A."'
Autor:
Dubajic, Milos, Neilson, James R., Klarbring, Johan, Liang, Xia, Boer, Stephanie A., Rule, Kirrily C., Auckett, Josie E., Gu, Leilei, Jia, Xuguang, Pusch, Andreas, Tumen-Ulzii, Ganbaatar, Wu, Qiyuan, Selby, Thomas A., Lu, Yang, Trowbridge, Julia C., Mozur, Eve M., Minelli, Arianna, Roth, Nikolaj, Orr, Kieran W. P., Soufiani, Arman Mahboubi, Kahmann, Simon, Kabakova, Irina, Ding, Jianning, Wu, Tom, Conibeer, Gavin J., Bremner, Stephen P., Walsh, Aron, Nielsen, Michael P., Stranks, Samuel D.
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 detectors. Yet, the fundamental mechanisms underpinning their unique perform
Externí odkaz:
http://arxiv.org/abs/2404.14598
Autor:
Geuchies, Jaco J., Klarbring, Johan, Di Virgillio, Lucia, Fu, Shuai, Qu, Sheng, Liu, Guangyu, Wang, Hai, Frost, Jarvist M., Walsh, Aron, Bonn, Mischa, Kim, Heejae
Two-dimensional hybrid organic-inorganic metal halide perovskites offer enhanced stability for perovskite-based applications. Their crystal structure's soft and ionic nature gives rise to strong interactions between charge carriers and ionic rearrang
Externí odkaz:
http://arxiv.org/abs/2404.12955
Autor:
Klarbring, Johan, Walsh, Aron
Solid-state sodium batteries require effective electrolytes that conduct at room temperature. The Na$_3$SbS$_4$ (Pn = P, Sb; Ch = S, Se) family have been studied for their high Na ion conductivity. The population of Na vacancies, which mediate ion di
Externí odkaz:
http://arxiv.org/abs/2403.20138
Publikováno v:
Chem. Soc. Rev., 2023, 52, 5812-5826
Defects determine many important properties and applications of materials, ranging from doping in semiconductors, to conductivity in mixed ionic-electronic conductors used in batteries, to active sites in catalysts. The theoretical description of def
Externí odkaz:
http://arxiv.org/abs/2307.10451
Exploring Magnetism of Lead-free Halide Double Perovskites: A High-Throughput First-Principles Study
We have performed a comprehensive, first-principles high-throughput study of the magnetic properties of halide double perovskites, $Cs_2BB^\prime Cl_6$, with magnetic ions occupying one or both B and B$^\prime$ sites. Our findings indicate a general
Externí odkaz:
http://arxiv.org/abs/2306.09300
Publikováno v:
Journal of Physical Chemistry C (2023)
Metal halide perovskites have shown extraordinary performance in solar energy conversion technologies. They have been classified as "soft semiconductors" due to their flexible corner-sharing octahedral networks and polymorphous nature. Understanding
Externí odkaz:
http://arxiv.org/abs/2305.11617
Autor:
Baldwin, William, Liang, Xia, Klarbring, Johan, Dubajic, Milos, Dell'Angelo, David, Sutton, Christopher, Caddeo, Claudia, Stranks, Samuel D., Mattoni, Alessandro, Walsh, Aron, Csányi, Gábor
Metal halide perovskites are multifunctional semiconductors with tunable structures and properties. They are highly dynamic crystals with complex octahedral tilting patterns and strongly anharmonic atomic behaviour. In the higher temperature, higher
Externí odkaz:
http://arxiv.org/abs/2304.04714
Electronic structure of the magnetic halide double perovskites Cs2(Ag,Na)FeCl6 from first-principles
A family of magnetic halide double perovskites (HDPs) have recently attracted attention due to their potential to broaden application areas of halide double perovskites into e.g. spintronics. Up to date the theoretical modelling of these systems have
Externí odkaz:
http://arxiv.org/abs/2211.16387
The calculation of free energies from first principles in materials is a formidable task which enables the prediction of phase stability with high accuracy; these calculations are complicated in magnetic materials by the interplay of electronic, magn
Externí odkaz:
http://arxiv.org/abs/2210.14718
Autor:
Haveroth, G. A., Thore, C-J., Correa, M. R., Ausas, R. F., Jakobsson, S., Cuminato, J. A., Klarbring, A.
A topology optimization formulation including a model of the layer-by-layer additive manufacturing (AM) process is considered. Defined as a multi-objective minimization problem, the formulation accounts for the performance and cost of both the final
Externí odkaz:
http://arxiv.org/abs/2203.08110