Zobrazeno 1 - 10
of 24
pro vyhledávání: '"Diana Dahliah"'
Autor:
Zhenkun Yuan, Diana Dahliah, Romain Claes, Andrew Pike, David P. Fenning, Gian-Marco Rignanese, Geoffroy Hautier
Publikováno v:
PRX Energy, Vol 3, Iss 3, p 033008 (2024)
The chalcogenide perovskite BaZrS_{3} has attracted much attention as a promising solar absorber for thin-film photovoltaics. Here we use first-principles calculations to evaluate its carrier transport and defect properties. We find that BaZrS_{3} ha
Externí odkaz:
https://doaj.org/article/cb4ba52747e9417289cac1deee25fc01
Autor:
Danny Broberg, Kyle Bystrom, Shivani Srivastava, Diana Dahliah, Benjamin A. D. Williamson, Leigh Weston, David O. Scanlon, Gian-Marco Rignanese, Shyam Dwaraknath, Joel Varley, Kristin A. Persson, Mark Asta, Geoffroy Hautier
Publikováno v:
npj Computational Materials, Vol 9, Iss 1, Pp 1-12 (2023)
Abstract Calculations of point defect energetics with Density Functional Theory (DFT) can provide valuable insight into several optoelectronic, thermodynamic, and kinetic properties. These calculations commonly use methods ranging from semi-local fun
Externí odkaz:
https://doaj.org/article/5b94429270634a6abff3072a90556b10
Autor:
Khadejah M. Al-Masri, Mohammed S. Abu-Jafar, Mahmoud Farout, Diana Dahliah, Ahmad A. Mousa, Said M. Azar, Rabah Khenata
Publikováno v:
Magnetochemistry, Vol 9, Iss 4, p 108 (2023)
In this article, the structural, elastic, electronic, and magnetic characteristics of both regular and inverse Heusler alloys, Sc2TiAl and Sc2TiSi, were investigated using a full-potential, linearized augmented plane-wave (FP-LAPW) method, within the
Externí odkaz:
https://doaj.org/article/eed555086d064879bd8d1c394d4c092a
Autor:
Felix V. E. Hensling, Diana Dahliah, Prabin Dulal, Patrick Singleton, Jiaxin Sun, Jürgen Schubert, Hanjong Paik, Indra Subedi, Biwas Subedi, Gian-Marco Rignanese, Nikolas J. Podraza, Geoffroy Hautier, Darrell G. Schlom
Publikováno v:
APL Materials, Vol 9, Iss 5, Pp 051113-051113-13 (2021)
We have studied the growth of epitaxial films of stannate pyrochlores with a general formula A2Sn2O7 (A = La and Y) and find that it is possible to incorporate ∼25% excess of the A-site constituent; in contrast, any tin excess is expelled. We unrav
Externí odkaz:
https://doaj.org/article/02cb6a78130b48cba7a0c0384509abf7
Publikováno v:
Results in Physics, Vol 7, Iss , Pp 2213-2223 (2017)
The phase transition and structural, elastic, thermodynamic characteristics of CdSe1−xTex alloys for all compositions x (x = 0, 0.25, 0.5, 0.75, 1) in both hexagonal wurtzite (WZ) and cubic zinc-blende (ZB) are studied at zero K and zero pressure i
Externí odkaz:
https://doaj.org/article/cc9098b6b2404fccbc0ca63dbec81cc8
Autor:
Samah Al-Qaisi, M.S. Abu-Jafar, G.K. Gopir, R. Ahmed, S. Bin Omran, Raed Jaradat, Diana Dahliah, R. Khenata
Publikováno v:
Results in Physics, Vol 7, Iss , Pp 709-714 (2017)
First-principles investigations of the Terbium oxide TbO are performed on structural, elastic, mechanical and thermodynamic properties. The investigations are accomplished by employing full potential augmented plane wave FP-LAPW method framed within
Externí odkaz:
https://doaj.org/article/8eac2516a2c14168bf79432a59d8eb22
Autor:
Viet-Anh Ha, Gian-Marco Rignanese, Geoffroy Hautier, Guillaume Brunin, Janine George, Diana Dahliah
Publikováno v:
Energy & Environmental Science. 14:5057-5073
The solar absorber is a key component in a solar cell as it captures photons and converts them into electron–hole pairs. Its efficiency is driven by the carrier lifetime and the latter is controlled by Shockley–Read–Hall non-radiative processes
Autor:
Gunnar Kusch, Geoffroy Hautier, Damilola Adeleye, Susanne Siebentritt, Sudhanshu Shukla, Mohit Sood, Sean Peedle, Rachel A. Oliver, Gian-Marco Rignanese, Michele Melchiorre, Diana Dahliah
Publikováno v:
Joule, (2021)
Summary The progress of Cu(In,Ga)S2 remains significantly limited mainly due to photovoltage (Voc) losses in the bulk and at the interfaces. Here, via a combination of photoluminescence, cathodoluminescence, electrical measurements, and ab initio mod
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3aac5e3f4b6263b3135a6cebd58d4640
Autor:
Biwas Subedi, Jiaxin Sun, Diana Dahliah, Indra Subedi, Darrell G. Schlom, Hanjong Paik, Nikolas J. Podraza, Felix V. E. Hensling, Jürgen Schubert, Patrick Singleton, Gian-Marco Rignanese, Geoffroy Hautier, Prabin Dulal
Publikováno v:
APL Materials, Vol. 9, no.5, p. 051113 (2021)
APL Materials, Vol 9, Iss 5, Pp 051113-051113-13 (2021)
APL materials 9(5), 051113-(2021). doi:10.1063/5.0049334
APL Materials, Vol 9, Iss 5, Pp 051113-051113-13 (2021)
APL materials 9(5), 051113-(2021). doi:10.1063/5.0049334
We have studied the growth of epitaxial films of stannate pyrochlores with a general formula A 2 Sn 2 O 7 (A = La and Y) and find that itis possible to incorporate ∼ 25% excess of the A-site constituent; in contrast, any tin excess is expelled. We
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::75f94c14c4716edb615e00dbe8cfe494
https://hdl.handle.net/2078.1/246383
https://hdl.handle.net/2078.1/246383
Publikováno v:
Energy & Environmental Science, Vol.-, no.-, p.-(2021)
The controversial role of cation disorder in the extraordinarily low open-circuit voltage (VOC) of the Cu2ZnSnS4 (CZTS) kesterite absorber is examined through a statistical treatment of disorder within the cluster-expansion method. It is demonstrated
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4a513f5a34a2199aeb9d7758f348b076
https://hdl.handle.net/2078.1/246462
https://hdl.handle.net/2078.1/246462