PROSPECTS FOR THE APPLICATION OF CHINESE AUTOMOTIVE BRANDS IN ENERGY-INTENSIVE SECTORS OF THE RUSSIAN COAL MINING INDUSTRY AND THEIR ADAPTATION STRATEGIES ArticleYao Y, Chernyaev M.V.Ugol. 2024. P.. 79-86
DESIGN PRINCIPLES FOR HIGH-TEMPERATURE SUPERCONDUCTORS WITH A HYDROGEN-BASED ALLOY BACKBONE AT MODERATE PRESSURE ArticleZhang 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. Vol. 128. 2022. 047001 p..
ELUCIDATING THE REACTION PATHWAY OF CRYSTALLINE MULTI-METAL BORIDES FOR HIGHLY EFFICIENT OXYGEN-EVOLVING ELECTROCATALYSTS ArticleZhao 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. Vol. 10. 2022. P.. 1569-1578
PATH TO HIGH- T C SUPERCONDUCTIVITY VIA RB SUBSTITUTION OF GUEST METAL ATOMS IN THE SR B3 C3 CLATHRATE ArticleZhang P., Li X., Yang X., Liu H., Wang H., Yao Y.Physical Review B . Vol. 105. 2022. 094503 p..
DIRAC NODAL-LINE SEMIMETAL ZINC POLYNITRIDE AT HIGH PRESSURE ArticleZhang Y., Huang X., Zhang Z., Tian F., Chen W., Chen S., Jiang S., Duan D., Cui T., Yao Y.Physical Review B . Vol. 105. 2022. 125120 p..
STRUCTURAL DIVERSITY AND UNUSUAL VALENCE STATES IN COMPRESSED NA-HG SYSTEM ArticleCao X., Wu L., Gou H., Wang C., Wan B., Li Z., Yao Y.Computational Materials Science. Vol. 211. 2022. 111561 p..
IRN4AND IRN7AS POTENTIAL HIGH-ENERGY-DENSITY MATERIALS ArticleDu X., Wang J., Yang Q., Yang G., Yao Y.The Journal of Chemical Physics. Vol. 154. 2021. 054706 p..
HIGH-PRESSURE STRUCTURAL STUDY OF Α -MN: EXPERIMENTS AND CALCULATIONS ArticleMagad-Weiss L.K., Stavrou E., Adeleke A.A., Yao Y., Greenberg E., Prakapenka V.B.Physical Review B . Vol. 103. 2021. 014101 p..
MACHINE LEARNING METADYNAMICS SIMULATION OF RECONSTRUCTIVE PHASE TRANSITION ArticleTong 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 . Vol. 103. 2021. 054107 p..
SYNTHESIS OF SUPERCONDUCTING SBS AND SB S2 ANTIMONY CHALCOGENIDE COMPOUNDS AT HIGH PRESSURES ArticleZhang W., Tian F., Huang X., Xie H., Duan D., Cui T., Yao Y., Huang Y.Physical Review B . Vol. 103. 2021. 104102 p..
QUANTUM AND CLASSICAL PROTON DIFFUSION IN SUPERCONDUCTING CLATHRATE HYDRIDES ArticleWang H., Yao Y., Peng F., Liu H., Hemley R.J.Physical Review Letters. Vol. 126. 2021. 117002 p..
SOLID NITROGEN AND NITROGEN-RICH COMPOUNDS AS HIGH-ENERGY-DENSITY MATERIALS ArticleYao Y., Adeniyi A.O.Physica Status Solidi (B) Basic Research. 2021.
POTASSIUM-ACTIVATED ANIONIC COPPER AND COVALENT CU-CU BONDING IN COMPRESSED K-CU COMPOUNDS ArticleCao X., Wu L., Wan B., Liu H., Yao Y., Gou H.The Journal of Chemical Physics. Vol. 154. 2021. 134708 p..
PREDICTION OF A STABLE HELIUM-HYDROGEN COMPOUND: FIRST-PRINCIPLES SIMULATIONS ArticleAdeniyi A.O., Adeleke A.A., Yao Y., Li X., Liu H.Physical Review B . Vol. 104. 2021. 024101 p..
FIRST-PRINCIPLES INVESTIGATION OF RHODIUM HYDRIDES UNDER HIGH PRESSURE ArticleShao Z., Duan D., Wang L., Song H., Yu H., Cui T., Yao Y.Physical Review B . Vol. 104. 2021. 054110 p..
SUPERCONDUCTING ZIRCONIUM POLYHYDRIDES AT MODERATE PRESSURES ArticleXie 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. Vol. 11. 2020. P.. 646-651
FORMATION OF STABLE COMPOUNDS OF POTASSIUM AND IRON UNDER PRESSURE ArticleAdeleke A.A., Yao Y.Journal of Physical Chemistry A. Vol. 124. 2020. P.. 4752-4763
PRESSURE-INDUCED DECOMPOSITION OF BINARY LANTHANUM INTERMETALLIC COMPOUNDS ArticleYang X., Li H., Liu H., Wang H., Xie Y., Yao Y.Physical Review B . Vol. 101. 2020. 184113 p..
NITROGEN IN BLACK PHOSPHORUS STRUCTURE ArticleJi C., Yang L., Wan B., Gou H., Li B., Mao H.K., Adeleke A.A., Yao Y., Meng Y., Smith J.S., Shen G., Prakapenka V.B., Liu W., Mao W.L.Science Advances. Vol. 6. 2020. EABA9206 p..
HYDROGEN PENTAGRAPHENELIKE STRUCTURE STABILIZED BY HAFNIUM: A HIGH-TEMPERATURE CONVENTIONAL SUPERCONDUCTOR ArticleXie 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. Vol. 125. 2020. 217001 p..
TWO GOOD METALS MAKE A SEMICONDUCTOR: A POTASSIUM-NICKEL COMPOUND UNDER PRESSURE ArticleAdeleke A.A., Adeniyi A.O., Yao Y., Stavrou E., Wan B., Gou H.Physical Review B . Vol. 102. 2020. 134120 p..
O-C240: A NEW SP3-DOMINATED ALLOTROPE OF CARBON ArticleAdeleke A.A., Adeniyi A.O., Yao Y., Tang H., Gou H.Journal of Physics Condensed Matter. Vol. 32. 2020. 395401 p..
PRESSURE-INDUCED STRUCTURAL TRANSFORMATIONS AND NEW POLYMORPHS IN BIVO4 ArticleCheng X., Zhang H., Guan J., Song Y., Jiang L., Wang P., Adeniyi A.O., Yao Y., Su L.Physical Chemistry Chemical Physics. Vol. 22. 2020. P.. 10238-10246
MECHANISM FOR THE STRUCTURAL TRANSFORMATION TO THE MODULATED SUPERCONDUCTING PHASE OF COMPRESSED HYDROGEN SULFIDE ArticleMajumdar A., Tse J.S., Yao Y.Scientific Reports. Vol. 9. 2019. 5023 p..
A HIGH-PRESSURE COMPOUND OF ARGON AND NICKEL: NOBLE GAS IN THE EARTH'S CORE? ArticleAdeleke A.A., Yao Y., Kunz M., Greenberg E., Prakapenka V.B., Stavrou E.ACS Earth and Space Chemistry. Vol. 3. 2019. P.. 2517-2524
SYNTHESIS OF XENON AND IRON-NICKEL INTERMETALLIC COMPOUNDS AT EARTH'S CORE THERMODYNAMIC CONDITIONS ArticleStavrou E., Zaug J.M., Yao Y., Goncharov A.F., Lobanov S.S., Liu H., Greenberg E., Prakapenka V.B.Physical Review Letters. Vol. 120. 2018. 096001 p..
REVEALING THE FORMATION MECHANISM OF ULTRAHARD NANOTWINNED DIAMOND FROM ONION CARBON ArticleTang H., Yuan X., Yu P., Wang M., Wu L., Zou Q., Ke Y., Zhao Y., Li X., Hu Q., Gou H., Mao W.L., Yao Y., Wang L., Yang W., Mao H.K.Carbon. Vol. 129. 2018. P.. 159-167
SUPERCONDUCTING HYDROGEN SULFIDE ArticleYao Y., Tse J.S.Chemistry - A European Journal. Vol. 24. 2018. P.. 1769-1778
B1-B2 PHASE TRANSITION MECHANISM AND PATHWAY OF PBS UNDER PRESSURE ArticleAdeleke A.A., Yao Y.The Journal of Chemical Physics. Vol. 148. 2018. 104503 p..
CRYSTAL STRUCTURES OF TRANSITION METAL PERNITRIDES PREDICTED FROM FIRST PRINCIPLES ArticleYu R., Sun E., Jiao L., Wang H., Yao Y., Cai Y.RSC Advances. Vol. 8. 2018. P.. 36412-36421
USING COHERENT PHONONS FOR ULTRAFAST CONTROL OF THE DIRAC NODE OF SRMNSB2 ArticleWeber C.P., Masten M.G., Ogloza T.C., Berggren B.S., Man M.K.L., Dani K.M., Liu J., Mao Z., Klug D.D., Adeleke A.A., Yao Y.Physical Review B . Vol. 98. 2018. 155115 p..
PREDICTION OF STABLE IRON NITRIDES AT AMBIENT AND HIGH PRESSURES WITH PROGRESSIVE FORMATION OF NEW POLYNITROGEN SPECIES ArticleWu L., Tian R., Wan B., Gong N., Chen P., Shen T., Gou H., Liu H., Yao Y., Gao F.Chemistry of Materials. Vol. 30. 2018. P.. 8476-8485
PIEZOCHROMISM AND STRUCTURAL AND ELECTRONIC PROPERTIES OF BENZ[A] ANTHRACENE UNDER PRESSURE ArticleCai W., Zhang R., Deemyad S., Yao Y.Physical Chemistry Chemical Physics. Vol. 19. 2017. P.. 6216-6223
MODULATED STRUCTURE CALCULATED FOR SUPERCONDUCTING HYDROGEN SULFIDE ArticleMajumdar A., Tse J.S., Yao Y.Angewandte Chemie - International Edition. Vol. 56. 2017. P.. 11390-11393
NEW MULTIFUNCTIONAL TUNGSTEN NITRIDE WITH ENERGETIC N6 AND EXTREME HARDNESS PREDICTED FROM FIRST PRINCIPLES ArticleLi Q., Sha L., Zhu C., Yao Y.EPL. Vol. 118. 2017. 46001 p..
SINGLE-BONDED ALLOTROPE OF NITROGEN PREDICTED AT HIGH PRESSURE ArticleAdeleke A.A., Greschner M.J., Majumdar A., Yao Y., Wan B., Gou H., Liu H., Li Z.Physical Review B . Vol. 96. 2017. 224104 p..
NOVEL BORON CHANNEL-BASED STRUCTURE OF BORON CARBIDE AT HIGH PRESSURES ArticleZhang X., Cheng T., Chen H., Zhao Y., Zhang M., Liu H., Yao Y.Journal of Physics Condensed Matter. Vol. 29. 2017. 455401 p..
SUPERCONDUCTIVITY IN FEH5 ArticleMajumdar A., Tse J.S., Wu M., Yao Y.Physical Review B . Vol. 96. 2017. 201107 p..
HYDROGEN SEGREGATION AND ITS ROLES IN STRUCTURAL STABILITY AND METALLIZATION: SILANE UNDER PRESSURE ArticleCui W., Shi J., Wang H., Ma Y., Liu H., Yao Y., Iitaka T.Scientific Reports. Vol. 5. 2015. 13039 p..
STABLE STRUCTURES OF HE AND H2 O AT HIGH PRESSURE ArticleLiu H., Yao Y., Klug D.D.Physical Review B: Condensed Matter and Materials Physics (с 1998 по 2015 год). Vol. 91. 2015. 014102 p..
CRYSTALLINE LIN5 PREDICTED FROM FIRST-PRINCIPLES AS A POSSIBLE HIGH-ENERGY MATERIAL ArticlePeng F., Yao Y., Liu H., Ma Y.Journal of Physical Chemistry Letters. Vol. 6. 2015. P.. 2363-2366
STRUCTURES AND STABILITY OF NOVEL TRANSITION-METAL (M = CO, RH, CO AND IR) BORIDES ArticleWang Y., Wu L., Zhang Y., Zhang J., Lin Y., Hu Q., Gou H., Mao H.K., Li Z., Gao F., Liu H., Yao Y.Physical Review B: Condensed Matter and Materials Physics (с 1998 по 2015 год). Vol. 92. 2015. 174106 p..
EXOTIC STABLE CESIUM POLYNITRIDES AT HIGH PRESSURE ArticlePeng F., Han Y., Liu H., Yao Y.Scientific Reports. Vol. 5. 2015. 16902 p..
AMBIENT-PRESSURE POLYMERIZATION OF CARBON ANIONS IN THE HIGH-PRESSURE PHASE MG2C ArticleStefanoski S., Strobel T.A., Liu H., Yao Y.Inorganic Chemistry. Vol. 54. 2015. P.. 10761-10765
THEORETICAL PREDICTIONS OF NOVEL SUPERCONDUCTING PHASES OF BAGE3 STABLE AT ATMOSPHERIC AND HIGH PRESSURES ArticleZurek E., Yao Y.Inorganic Chemistry. Vol. 54. 2015. P.. 2875-2884
METALLIZATION AND SUPERCONDUCTIVITY OF BEH2 UNDER HIGH PRESSURE ArticleWang Z., Zhu L., Wang H., Ma Y., Yao Y., Liu H., Iitaka T.The Journal of Chemical Physics. Vol. 140. 2014. 124707 p..
HIDDEN THERMODYNAMIC GROUND STATE OF CALCIUM DIAZENIDE ArticleWang H., Si Y., Wu Z., Yao Y., Vaitheeswaran G.Journal of Physical Chemistry C. Vol. 118. 2014. P.. 650-656
DIHYDROGEN BONDING IN COMPRESSED AMMONIA BORANE AND ITS ROLES IN STRUCTURAL STABILITY ArticleYao Y., Yong X., Tse J.S., Greschner M.J.Journal of Physical Chemistry C. Vol. 118. 2014. P.. 29591-29598
STRUCTURE AND ELECTRONIC PROPERTIES OF BAH2 AT HIGH PRESSURE ArticleTse J.S., Song Z., Yao Y., Smith J.S., Desgreniers S., Klug D.D.Solid State Communications. Vol. 149. 2009. P.. 1944-1946
CRYSTAL AND ELECTRONIC STRUCTURE OF SUPERHARD BC5: FIRST-PRINCIPLES STRUCTURAL OPTIMIZATIONS ArticleYao Y., Klug D.D., Tse J.S.Physical Review B: Condensed Matter and Materials Physics (с 1998 по 2015 год). Vol. 80. 2009. 094106 p..