Zobrazeno 1 - 10
of 114
pro vyhledávání: '"Alexander, Urban"'
Autor:
Haoyue Guo, Matthew R. Carbone, Chuntian Cao, Jianzhou Qu, Yonghua Du, Seong-Min Bak, Conan Weiland, Feng Wang, Shinjae Yoo, Nongnuch Artrith, Alexander Urban, Deyu Lu
Publikováno v:
Scientific Data, Vol 10, Iss 1, Pp 1-8 (2023)
Abstract X-ray absorption spectroscopy (XAS) is a premier technique for materials characterization, providing key information about the local chemical environment of the absorber atom. In this work, we develop a database of sulfur K-edge XAS spectra
Externí odkaz:
https://doaj.org/article/502e6c66f2694d939a568ffae2df3efd
Autor:
Jose Antonio Garrido Torres, Vahe Gharakhanyan, Nongnuch Artrith, Tobias Hoffmann Eegholm, Alexander Urban
Publikováno v:
Nature Communications, Vol 12, Iss 1, Pp 1-9 (2021)
Computational material design often does not account for temperature effects. The present manuscript combines quantum-mechanics based calculations with a machine-learned correction to establish a unified thermodynamics framework for accurate predicti
Externí odkaz:
https://doaj.org/article/4e7b0698a52f42319f93d8d5a7ab17e2
Publikováno v:
Frontiers in Energy Research, Vol 9 (2021)
Materials for solid-state batteries often exhibit complex chemical compositions, defects, and disorder, making both experimental characterization and direct modeling with first principles methods challenging. Machine learning (ML) has proven versatil
Externí odkaz:
https://doaj.org/article/a29fed3bc16645cf9b0d69ad5b605b5f
Autor:
Huiwen Ji, Alexander Urban, Daniil A. Kitchaev, Deok-Hwang Kwon, Nongnuch Artrith, Colin Ophus, Wenxuan Huang, Zijian Cai, Tan Shi, Jae Chul Kim, Haegyeom Kim, Gerbrand Ceder
Publikováno v:
Nature Communications, Vol 10, Iss 1, Pp 1-9 (2019)
The average crystal structure largely governs the Li diffusion kinetics in well-ordered cathode materials. Here the authors show this rule does not hold true for cation-disordered analogues. Cation short-range order is not only ubiquitous but also co
Externí odkaz:
https://doaj.org/article/f73de8766e0944acbf5e035577535a51
Autor:
Alexander Urban
Publikováno v:
Frontiers in Sociology, Vol 5 (2020)
With the establishment of genome sequencing, the influence of genomic information on self-understanding and identity construction has become increasingly important. New sequencing methods far exceed previous genetic tests in terms of scope and quanti
Externí odkaz:
https://doaj.org/article/4db46e27d2ab45a3bbd540143f96a620
Autor:
Alexander Urban, Mark Schweda
Publikováno v:
New Genetics and Society, Vol 37, Iss 2, Pp 153-173 (2018)
In the evaluation of genomic high-throughput technologies, the idea of “utility” plays an important role. The “clinical utility” of genomic data refers to the improvement of healthcare outcomes, its “personal utility” to benefits that go
Externí odkaz:
https://doaj.org/article/4eecad17d9e5468e84a13fdc7276b0fe
Publikováno v:
Materials, Vol 14, Iss 16, p 4495 (2021)
Monolayer group-IV tellurides with phosphorene-derived structures are attracting increasing research interest because of their unique properties. Here, we systematically studied the quasiparticle electronic and optical properties of two-dimensional g
Externí odkaz:
https://doaj.org/article/41c05b21c2384fc8a6280ca14bbe1921
Autor:
YUNHAO XIAO, Panni Zheng, Tairan Yang, Sriya Karambor Chakravarty, Joaquin Rodriguez-Lopez, Alexander Urban, Zheng Li
Publikováno v:
Journal of The Electrochemical Society.
An integrated combinatorial synthesis, characterization, and testing methodology and platform is proposed and developed for high-throughput exploration of Li-ion rechargeable battery cathode chemistries. This article describes the design of the platf
Publikováno v:
npj Computational Materials, Vol 3, Iss 1, Pp 1-9 (2017)
Materials simulations: Constructing models guaranteed to preserve the ground states A method has been developed for performing materials simulations without needing to perform manual parameter tuning for the ground-state. First-principles density fun
Externí odkaz:
https://doaj.org/article/a470cdea6be541e4a75f87e3869a1d46
Autor:
Andreas Bornschlegl, Michael Lichtenegger, Leo Luber, Carola Lampe, Maryna Bodnarchuk, Maksym Kovalenko, Alexander Urban
Semiconductor nanocrystals could replace conventional bulk materials completely in displays and light-emitting diodes. However, the organic ligands enabling their unique optical properties, prevent current flow in nanocrystal films, leaving energy tr
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::7aa82d0e6e3ee6669c9dfa2333562d5f
https://doi.org/10.21203/rs.3.rs-2450378/v1
https://doi.org/10.21203/rs.3.rs-2450378/v1