Zobrazeno 1 - 10
of 388
pro vyhledávání: '"Artem R, Oganov"'
Publikováno v:
Matter and Radiation at Extremes, Vol 9, Iss 6, Pp 067803-067803-9 (2024)
It is well known that atoms of the same element in different valence states show very different chemical behaviors. Calcium is a typical divalent metal, sharing or losing both of its valence electrons when forming compounds. Attempts have been made t
Externí odkaz:
https://doaj.org/article/95808b259f56420c9608f57c441ed813
Autor:
Ivan A. Kruglov, Alexey V. Yanilkin, Yana Propad, Arslan B. Mazitov, Pavel Rachitskii, Artem R. Oganov
Publikováno v:
npj Computational Materials, Vol 9, Iss 1, Pp 1-8 (2023)
Abstract Crystal structure prediction is a central problem of crystallography and materials science, which until mid-2000s was considered intractable. Several methods, based on either energy landscape exploration or, more commonly, global optimizatio
Externí odkaz:
https://doaj.org/article/a5fd87e415b6402aaa4629b72036e5d0
Autor:
Wuhao Chen, Xiaoli Huang, Dmitrii V. Semenok, Su Chen, Di Zhou, Kexin Zhang, Artem R. Oganov, Tian Cui
Publikováno v:
Nature Communications, Vol 14, Iss 1, Pp 1-8 (2023)
Abstract Ternary hydrides are regarded as an important platform for exploring high-temperature superconductivity at relatively low pressures. Here, we successfully synthesized the hcp-(La,Ce)H9-10 at 113 GPa with the initial La/Ce ratio close to 3:1.
Externí odkaz:
https://doaj.org/article/29448cfeb48640aa92b4b8af98875638
Autor:
Ivan A. Kruglov, Alexey V. Yanilkin, Yana Propad, Arslan B. Mazitov, Pavel Rachitskii, Artem R. Oganov
Publikováno v:
npj Computational Materials, Vol 9, Iss 1, Pp 1-1 (2023)
Externí odkaz:
https://doaj.org/article/9f047a35207e41a09fb7a06f33b7bcb7
Publikováno v:
npj Computational Materials, Vol 7, Iss 1, Pp 1-11 (2021)
Abstract Crystal structure prediction has been widely used to accelerate the discovery of new materials in recent years. Up to this day, it remains a challenge to predict the stable stoichiometries and structures of ternary or more complex systems du
Externí odkaz:
https://doaj.org/article/e6c9cff49b8d42f29145f2b360266315
Autor:
Chengguang Yue, Xiao-Ji Weng, Guoying Gao, Artem R. Oganov, Xiao Dong, Xi Shao, Xiaomeng Wang, Jian Sun, Bo Xu, Hui-Tian Wang, Xiang-Feng Zhou, Yongjun Tian
Publikováno v:
Fundamental Research, Vol 1, Iss 4, Pp 482-487 (2021)
Boron forms compounds with nearly all metals, with notable exception of copper and other group IB and IIB elements. Here, we report an unexpected discovery of ordered copper boride grown epitaxially on Cu(111) under ultrahigh vacuum. Scanning tunneli
Externí odkaz:
https://doaj.org/article/78e3e26d29d44e6a9398d7e75ba418f5
Autor:
Christian Tantardini, Artem R. Oganov
Publikováno v:
Nature Communications, Vol 12, Iss 1, Pp 1-9 (2021)
Pauling’s electronegativity scale has a fundamental value and uses accessible thermochemical data, but fails at predicting the bonding behavior for several elements. The authors propose their thermochemical scale based on experimental dissociation
Externí odkaz:
https://doaj.org/article/be4bf4705d6b473e847bc58fa19deed2
Publikováno v:
Crystals, Vol 13, Iss 5, p 756 (2023)
We comprehensively study the ionic conductivity in lithium phosphides, promising materials for energy storage applications, by using a combination of first-principles computations and machine learning interatomic potentials. Using the quasiharminic a
Externí odkaz:
https://doaj.org/article/5093c965103e48d88741fad678c87853
Autor:
Wuhao Chen, Dmitrii V. Semenok, Alexander G. Kvashnin, Xiaoli Huang, Ivan A. Kruglov, Michele Galasso, Hao Song, Defang Duan, Alexander F. Goncharov, Vitali B. Prakapenka, Artem R. Oganov, Tian Cui
Publikováno v:
Nature Communications, Vol 12, Iss 1, Pp 1-9 (2021)
Metallization of pure hydrogen via overlapping of electronic bands requires high pressure above 3 Mbar. Here the authors study the Ba-H system and discover a unique superhydride BaH12 that contains molecular hydrogen, which demonstrates metallic prop
Externí odkaz:
https://doaj.org/article/debc14f4d76b4866a12e91c1b57740da
Autor:
Nilesh P. Salke, M. Mahdi Davari Esfahani, Youjun Zhang, Ivan A. Kruglov, Jianshi Zhou, Yaguo Wang, Eran Greenberg, Vitali B. Prakapenka, Jin Liu, Artem R. Oganov, Jung-Fu Lin
Publikováno v:
Nature Communications, Vol 10, Iss 1, Pp 1-10 (2019)
Hydrogen-rich superhydrides are promising high-temperature superconductors which have been observed only at pressures above 170 GPa. Here the authors show that CeH9 can be synthesized at 80-100 GPa with laser heating, and is characterized by a clathr
Externí odkaz:
https://doaj.org/article/1a7c350482cc455c93460610743c8548