Ab initio teori och energimaterial

Ab Initio Methods and energy materials
Ab Initio Methods and energy materials

Publikationer

2024

Hongwei Lei, Utkarsh Singh, Fuxiang Ji, Tinghao Lin, Libor Kobera, Yuequn Shang, Xinyi Cai, Weihua Ning, Andrii Mahun, Sabina Abbrent, Zuojun Tan, Jiri Brus, Dehui Li, Sergey Simak, Igor Abrikosov, Feng Gao (2024) Palladium-Doped Cs2AgBiBr6 with 1300 nm Near-Infrared Photoresponse Small (Artikel i tidskrift) Vidare till DOI
Johan Klarbring, Aron Walsh (2024) Na Vacancy-Driven Phase Transformation and Fast Ion Conduction in W-Doped Na3SbS4 from Machine Learning Force Fields Chemistry of Materials (Artikel i tidskrift) Vidare till DOI
Kevin Ye, Matan Menahem, Tommaso Salzillo, Florian Knoop, Boyang Zhao, Shanyuan Niu, Olle Hellman, Jayakanth Ravichandran, R. Jaramillo, Omer Yaffe (2024) Differing vibrational properties of halide and chalcogenide perovskite semiconductors and impact on optoelectronic performance Physical Review Materials, Vol. 8, Artikel 085402 (Artikel i tidskrift) Vidare till DOI
Andrey Aslandukov, Akun Liang, Amanda Ehn, Florian Trybel, Yuqing Yin, Alena Aslandukova, Fariia I. Akbar, Umbertoluca Ranieri, James Spender, Ross T. Howie, Eleanor Lawrence Bright, Jonathan Wright, Michael Hanfland, Gaston Garbarino, Mohamed Mezouar, Timofey Fedotenko, Igor A. Abrikosov, Natalia Dubrovinskaia, Leonid Dubrovinsky, Dominique Laniel (2024) Synthesis of LaCN3, TbCN3, CeCN5, and TbCN5 Polycarbonitrides at Megabar Pressures Journal of the American Chemical Society, Vol. 146, s. 18161-18171 (Artikel i tidskrift) Vidare till DOI
Davide G. Sangiovanni, Collin Rowe, Geetu Sharma, Michael Lane, Per Eklund, Ganpati Ramanath (2024) Strain hardening and toughening in metal/molecular nanolayer/metal nanosandwiches Applied Physics Letters, Vol. 124, Artikel 261601 (Artikel i tidskrift) Vidare till DOI
Alena Aslandukova, Andrey Aslandukov, Fariia Iasmin Akbar, Yuqing Yin, Florian Trybel, Michael Hanfland, Anna Pakhomova, Stella Chariton, Vitali Prakapenka, Natalia Dubrovinskaia, Leonid Dubrovinsky (2024) High-Pressure <i>oC</i>16-YBr<sub>3</sub> Polymorph Recoverable to Ambient Conditions: From 3D Framework to Layered Material Inorganic Chemistry (Artikel i tidskrift) Vidare till DOI
Jaco J. Geuchies, Johan Klarbring, Lucia Di Virgilio, Shuai Fu, Sheng Qu, Guangyu Liu, Hai Wang, Jarvist M. Frost, Aron Walsh, Mischa Bonn, Heejae Kim (2024) Anisotropic Electron-Phonon Interactions in 2D Lead-Halide Perovskites Nano Letters, Vol. 24, s. 8642-8649 (Artikel i tidskrift) Vidare till DOI
Nikola Koutna, Lars Hultman, Paul H. Mayrhofer, Davide Sangiovanni (2024) Phase stability and mechanical property trends for MAB phases by high-throughput ab initio calculations Materials & design, Vol. 241, Artikel 112959 (Artikel i tidskrift) Vidare till DOI
Akun Liang, Israel Osmond, Georg Krach, Lan-Ting Shi, Lukas Bruening, Umbertoluca Ranieri, James Spender, Ferenc Tasnadi, Bernhard Massani, Callum R. Stevens, Ryan Stewart McWilliams, Eleanor Lawrence Bright, Nico Giordano, Samuel Gallego-Parra, Yuqing Yin, Andrey Aslandukov, Fariia Iasmin Akbar, Eugene Gregoryanz, Andrew Huxley, Miriam Pena-Alvarez, Jian-Guo Si, Wolfgang Schnick, Maxim Bykov, Florian Trybel, Dominique Laniel (2024) High-Pressure Synthesis of Ultra-Incompressible, Hard and Superconducting Tungsten Nitrides Advanced Functional Materials (Artikel i tidskrift) Vidare till DOI
Shun Kashiwaya, Yuchen Shi, Jun Lu, Davide Giuseppe Sangiovanni, Grzegorz Greczynski, Martin Magnuson, Mike Andersson, Johanna Rosén, Lars Hultman (2024) Synthesis of goldene comprising single-atom layer gold Nature Synthesis (Artikel i tidskrift) Vidare till DOI

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