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PATH TO HIGH- T C SUPERCONDUCTIVITY VIA RB SUBSTITUTION OF GUEST METAL ATOMS IN THE SR B3 C3 CLATHRATE СтатьяZhang P., Li X., Yang X., Liu H., Wang H., Yao Y.Physical Review B. Том 105. 2022. 094503 с.
DESIGN PRINCIPLES FOR HIGH-TEMPERATURE SUPERCONDUCTORS WITH A HYDROGEN-BASED ALLOY BACKBONE AT MODERATE PRESSURE СтатьяZhang Z., Cui T., Song H., Du M., Duan D., Hutcheon M.J., Shipley A.M., Kresin V.Z., Pickard C.J., Yao Y.Physical Review Letters. Том 128. 2022. 047001 с.
STRUCTURAL DIVERSITY AND UNUSUAL VALENCE STATES IN COMPRESSED NA-HG SYSTEM СтатьяCao X., Wu L., Gou H., Wang C., Wan B., Li Z., Yao Y.Computational Materials Science. Том 211. 2022. 111561 с.
ELUCIDATING THE REACTION PATHWAY OF CRYSTALLINE MULTI-METAL BORIDES FOR HIGHLY EFFICIENT OXYGEN-EVOLVING ELECTROCATALYSTS СтатьяZhao S., Peng W., Gao B., Gou H., Xu S., Tian R., Wu L., Yao J., Chen N., Gong Y., Zhang X., Hao X., Gao F., Zhang L., Pei C., Qi Y., Wan B., Ahuja R., Yao Y.Journal of Materials Chemistry A. Том 10. 2022. С. 1569-1578
DIRAC NODAL-LINE SEMIMETAL ZINC POLYNITRIDE AT HIGH PRESSURE СтатьяZhang Y., Huang X., Zhang Z., Tian F., Chen W., Chen S., Jiang S., Duan D., Cui T., Yao Y.Physical Review B. Том 105. 2022. 125120 с.
PREDICTION OF A STABLE HELIUM-HYDROGEN COMPOUND: FIRST-PRINCIPLES SIMULATIONS СтатьяAdeniyi A.O., Adeleke A.A., Yao Y., Li X., Liu H.Physical Review B. Том 104. 2021. 024101 с.
HIGH-PRESSURE STRUCTURAL STUDY OF Α -MN: EXPERIMENTS AND CALCULATIONS СтатьяMagad-Weiss L.K., Stavrou E., Adeleke A.A., Yao Y., Greenberg E., Prakapenka V.B.Physical Review B. Том 103. 2021. 014101 с.
FIRST-PRINCIPLES INVESTIGATION OF RHODIUM HYDRIDES UNDER HIGH PRESSURE СтатьяShao Z., Duan D., Wang L., Song H., Yu H., Cui T., Yao Y.Physical Review B. Том 104. 2021. 054110 с.
SYNTHESIS OF SUPERCONDUCTING SBS AND SB S2 ANTIMONY CHALCOGENIDE COMPOUNDS AT HIGH PRESSURES СтатьяZhang W., Tian F., Huang X., Xie H., Duan D., Cui T., Yao Y., Huang Y.Physical Review B. Том 103. 2021. 104102 с.
SOLID NITROGEN AND NITROGEN-RICH COMPOUNDS AS HIGH-ENERGY-DENSITY MATERIALS СтатьяYao Y., Adeniyi A.O.Physica Status Solidi (B) Basic Research. 2021.
MACHINE LEARNING METADYNAMICS SIMULATION OF RECONSTRUCTIVE PHASE TRANSITION СтатьяTong Q., Luo X., Gao P., Xie Y., Liu H., Li Q., Wang Y., Lv J., Ma Y., Adeleke A.A., Yao Y.Physical Review B. Том 103. 2021. 054107 с.
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IRN<SUB>4</SUB>AND IRN<SUB>7</SUB>AS POTENTIAL HIGH-ENERGY-DENSITY MATERIALS СтатьяDu X., Wang J., Yang Q., Yang G., Yao Y.The Journal of Chemical Physics. Том 154. 2021. 054706 с.
POTASSIUM-ACTIVATED ANIONIC COPPER AND COVALENT CU-CU BONDING IN COMPRESSED K-CU COMPOUNDS СтатьяCao X., Wu L., Wan B., Liu H., Yao Y., Gou H.The Journal of Chemical Physics. Том 154. 2021. 134708 с.
FORMATION OF STABLE COMPOUNDS OF POTASSIUM AND IRON UNDER PRESSURE СтатьяAdeleke A.A., Yao Y.Journal of Physical Chemistry A. Том 124. 2020. С. 4752-4763
SUPERCONDUCTING ZIRCONIUM POLYHYDRIDES AT MODERATE PRESSURES СтатьяXie H., Zhang W., Duan D., Huang X., Huang Y., Song H., Cui T., Pickard C.J., Feng X., Yao Y.Journal of Physical Chemistry Letters. Том 11. 2020. С. 646-651
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PRESSURE-INDUCED DECOMPOSITION OF BINARY LANTHANUM INTERMETALLIC COMPOUNDS СтатьяYang X., Li H., Liu H., Wang H., Xie Y., Yao Y.Physical Review B. Том 101. 2020. 184113 с.
PRESSURE-INDUCED STRUCTURAL TRANSFORMATIONS AND NEW POLYMORPHS IN BIVO<SUB>4</SUB> СтатьяCheng X., Zhang H., Guan J., Song Y., Jiang L., Wang P., Adeniyi A.O., Yao Y., Su L.Physical Chemistry Chemical Physics. Том 22. 2020. С. 10238-10246
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HYDROGEN PENTAGRAPHENELIKE STRUCTURE STABILIZED BY HAFNIUM: A HIGH-TEMPERATURE CONVENTIONAL SUPERCONDUCTOR СтатьяXie H., Duan D., Song H., Zhang Z., Jiang S., Cui T., Yao Y., Feng X., Redfern S.A.T., Pickard C.J., Kresin V.Z.Physical Review Letters. Том 125. 2020. 217001 с.
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A HIGH-PRESSURE COMPOUND OF ARGON AND NICKEL: NOBLE GAS IN THE EARTH'S CORE? СтатьяAdeleke A.A., Yao Y., Kunz M., Greenberg E., Prakapenka V.B., Stavrou E.ACS Earth and Space Chemistry. Том 3. 2019. С. 2517-2524
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