PATH TO HIGH- T C SUPERCONDUCTIVITY VIA RB SUBSTITUTION OF GUEST METAL ATOMS IN THE SR B3 C3 CLATHRATE Статья Zhang 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 Статья Zhang 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 Статья Cao X., Wu L., Gou H., Wang C., Wan B., Li Z., Yao Y. Computational Materials Science. Elsevier Science Publishing Company, Inc.. Том 211. 2022. 111561 с.
ELUCIDATING THE REACTION PATHWAY OF CRYSTALLINE MULTI-METAL BORIDES FOR HIGHLY EFFICIENT OXYGEN-EVOLVING ELECTROCATALYSTS Статья Zhao 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. Royal Society of Chemistry. Том 10. 2022. С. 1569-1578
DIRAC NODAL-LINE SEMIMETAL ZINC POLYNITRIDE AT HIGH PRESSURE Статья Zhang 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 Статья Adeniyi A.O., Adeleke A.A., Yao Y., Li X., Liu H. Physical Review B. Том 104. 2021. 024101 с.
MACHINE LEARNING METADYNAMICS SIMULATION OF RECONSTRUCTIVE PHASE TRANSITION Статья Tong 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.
HIGH-PRESSURE STRUCTURAL STUDY OF Α -MN: EXPERIMENTS AND CALCULATIONS Статья Magad-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 Статья Shao Z., Duan D., Wang L., Song H., Yu H., Cui T., Yao Y. Physical Review B. Том 104. 2021. 054110 с.
QUANTUM AND CLASSICAL PROTON DIFFUSION IN SUPERCONDUCTING CLATHRATE HYDRIDES Статья Wang H., Yao Y., Peng F., Liu H., Hemley R.J. Physical Review Letters. Том 126. 2021. 117002 с.
POTASSIUM-ACTIVATED ANIONIC COPPER AND COVALENT CU-CU BONDING IN COMPRESSED K-CU COMPOUNDS Статья Cao X., Wu L., Wan B., Liu H., Yao Y., Gou H. The Journal of Chemical Physics. Том 154. 2021. 134708 с.
SYNTHESIS OF SUPERCONDUCTING SBS AND SB S2 ANTIMONY CHALCOGENIDE COMPOUNDS AT HIGH PRESSURES Статья Zhang W., Tian F., Huang X., Xie H., Duan D., Cui T., Yao Y., Huang Y. Physical Review B. Том 103. 2021. 104102 с.
IRN<SUB>4</SUB>AND IRN<SUB>7</SUB>AS POTENTIAL HIGH-ENERGY-DENSITY MATERIALS Статья Du X., Wang J., Yang Q., Yang G., Yao Y. The Journal of Chemical Physics. Том 154. 2021. 054706 с.
SOLID NITROGEN AND NITROGEN-RICH COMPOUNDS AS HIGH-ENERGY-DENSITY MATERIALS Статья Yao Y., Adeniyi A.O. Physica Status Solidi (B) Basic Research. 2021.
NITROGEN IN BLACK PHOSPHORUS STRUCTURE Статья Ji 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. American Association for the Advancement of Science. Том 6. 2020. EABA9206 с.
FORMATION OF STABLE COMPOUNDS OF POTASSIUM AND IRON UNDER PRESSURE Статья Adeleke A.A., Yao Y. Journal of Physical Chemistry A. American Chemical Society. Том 124. 2020. С. 4752-4763
HYDROGEN PENTAGRAPHENELIKE STRUCTURE STABILIZED BY HAFNIUM: A HIGH-TEMPERATURE CONVENTIONAL SUPERCONDUCTOR Статья Xie 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.
O-C<SUB>240</SUB>: A NEW SP<SUP>3</SUP>-DOMINATED ALLOTROPE OF CARBON Статья Adeleke A.A., Adeniyi A.O., Yao Y., Tang H., Gou H. Journal of Physics Condensed Matter. Том 32. 2020. 395401 с.
SUPERCONDUCTING ZIRCONIUM POLYHYDRIDES AT MODERATE PRESSURES Статья Xie 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. American Chemical Society. Том 11. 2020. С. 646-651
PRESSURE-INDUCED DECOMPOSITION OF BINARY LANTHANUM INTERMETALLIC COMPOUNDS Статья Yang X., Li H., Liu H., Wang H., Xie Y., Yao Y. Physical Review B. Том 101. 2020. 184113 с.
TWO GOOD METALS MAKE A SEMICONDUCTOR: A POTASSIUM-NICKEL COMPOUND UNDER PRESSURE Статья Adeleke A.A., Adeniyi A.O., Yao Y., Stavrou E., Wan B., Gou H. Physical Review B. Том 102. 2020. 134120 с.
PRESSURE-INDUCED STRUCTURAL TRANSFORMATIONS AND NEW POLYMORPHS IN BIVO<SUB>4</SUB> Статья Cheng 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
MECHANISM FOR THE STRUCTURAL TRANSFORMATION TO THE MODULATED SUPERCONDUCTING PHASE OF COMPRESSED HYDROGEN SULFIDE Статья Majumdar A., Tse J.S., Yao Y. Scientific Reports. Nature Publishing Group. Том 9. 2019. 5023 с.
A HIGH-PRESSURE COMPOUND OF ARGON AND NICKEL: NOBLE GAS IN THE EARTH'S CORE? Статья Adeleke A.A., Yao Y., Kunz M., Greenberg E., Prakapenka V.B., Stavrou E. ACS Earth and Space Chemistry. Том 3. 2019. С. 2517-2524
B1-B2 PHASE TRANSITION MECHANISM AND PATHWAY OF PBS UNDER PRESSURE Статья Adeleke A.A., Yao Y. The Journal of Chemical Physics. Том 148. 2018. 104503 с.
SUPERCONDUCTING HYDROGEN SULFIDE Статья Yao Y., Tse J.S. Chemistry - A European Journal. Wiley-VCH Verlag. Том 24. 2018. С. 1769-1778
PREDICTION OF STABLE IRON NITRIDES AT AMBIENT AND HIGH PRESSURES WITH PROGRESSIVE FORMATION OF NEW POLYNITROGEN SPECIES Статья Wu L., Tian R., Wan B., Gong N., Chen P., Shen T., Gou H., Liu H., Yao Y., Gao F. Chemistry of Materials. American Chemical Society. Том 30. 2018. С. 8476-8485
REVEALING THE FORMATION MECHANISM OF ULTRAHARD NANOTWINNED DIAMOND FROM ONION CARBON Статья Tang 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. Elsevier Ltd. Том 129. 2018. С. 159-167
CRYSTAL STRUCTURES OF TRANSITION METAL PERNITRIDES PREDICTED FROM FIRST PRINCIPLES Статья Yu R., Sun E., Jiao L., Wang H., Yao Y., Cai Y. RSC Advances. Том 8. 2018. С. 36412-36421
USING COHERENT PHONONS FOR ULTRAFAST CONTROL OF THE DIRAC NODE OF SRMNSB2 Статья Weber 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. Том 98. 2018. 155115 с.
SYNTHESIS OF XENON AND IRON-NICKEL INTERMETALLIC COMPOUNDS AT EARTH'S CORE THERMODYNAMIC CONDITIONS Статья Stavrou E., Zaug J.M., Yao Y., Goncharov A.F., Lobanov S.S., Liu H., Greenberg E., Prakapenka V.B. Physical Review Letters. Том 120. 2018. 096001 с.
PIEZOCHROMISM AND STRUCTURAL AND ELECTRONIC PROPERTIES OF BENZ[A] ANTHRACENE UNDER PRESSURE Статья Cai W., Zhang R., Deemyad S., Yao Y. Physical Chemistry Chemical Physics. Том 19. 2017. С. 6216-6223
NEW MULTIFUNCTIONAL TUNGSTEN NITRIDE WITH ENERGETIC N<SUB>6</SUB> AND EXTREME HARDNESS PREDICTED FROM FIRST PRINCIPLES Статья Li Q., Sha L., Zhu C., Yao Y. EPL. Institute of Physics and IOP Publishing Limited. Том 118. 2017. 46001 с.
SUPERCONDUCTIVITY IN FEH5 Статья Majumdar A., Tse J.S., Wu M., Yao Y. Physical Review B. Том 96. 2017. 201107 с.
SINGLE-BONDED ALLOTROPE OF NITROGEN PREDICTED AT HIGH PRESSURE Статья Adeleke A.A., Greschner M.J., Majumdar A., Yao Y., Wan B., Gou H., Liu H., Li Z. Physical Review B. Том 96. 2017. 224104 с.
MODULATED STRUCTURE CALCULATED FOR SUPERCONDUCTING HYDROGEN SULFIDE Статья Majumdar A., Tse J.S., Yao Y. Angewandte Chemie - International Edition. Том 56. 2017. С. 11390-11393
NOVEL BORON CHANNEL-BASED STRUCTURE OF BORON CARBIDE AT HIGH PRESSURES Статья Zhang X., Cheng T., Chen H., Zhao Y., Zhang M., Liu H., Yao Y. Journal of Physics Condensed Matter. Том 29. 2017. 455401 с.
CRYSTALLINE LIN<SUB>5</SUB> PREDICTED FROM FIRST-PRINCIPLES AS A POSSIBLE HIGH-ENERGY MATERIAL Статья Peng F., Yao Y., Liu H., Ma Y. Journal of Physical Chemistry Letters. American Chemical Society. Том 6. 2015. С. 2363-2366
HYDROGEN SEGREGATION AND ITS ROLES IN STRUCTURAL STABILITY AND METALLIZATION: SILANE UNDER PRESSURE Статья Cui W., Shi J., Wang H., Ma Y., Liu H., Yao Y., Iitaka T. Scientific Reports. Nature Publishing Group. Том 5. 2015. 13039 с.
EXOTIC STABLE CESIUM POLYNITRIDES AT HIGH PRESSURE Статья Peng F., Han Y., Liu H., Yao Y. Scientific Reports. Nature Publishing Group. Том 5. 2015. 16902 с.
THEORETICAL PREDICTIONS OF NOVEL SUPERCONDUCTING PHASES OF BAGE<SUB>3</SUB> STABLE AT ATMOSPHERIC AND HIGH PRESSURES Статья Zurek E., Yao Y. Inorganic Chemistry. Том 54. 2015. С. 2875-2884
AMBIENT-PRESSURE POLYMERIZATION OF CARBON ANIONS IN THE HIGH-PRESSURE PHASE MG<SUB>2</SUB>C Статья Stefanoski S., Strobel T.A., Liu H., Yao Y. Inorganic Chemistry. Том 54. 2015. С. 10761-10765
STRUCTURES AND STABILITY OF NOVEL TRANSITION-METAL (M = CO, RH, CO AND IR) BORIDES Статья Wang 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. Том 92. 2015. 174106 с.
STABLE STRUCTURES OF HE AND H2 O AT HIGH PRESSURE Статья Liu H., Yao Y., Klug D.D. Physical Review B - Condensed Matter and Materials Physics. Том 91. 2015. 014102 с.
METALLIZATION AND SUPERCONDUCTIVITY OF BEH<SUB>2</SUB> UNDER HIGH PRESSURE Статья Wang Z., Zhu L., Wang H., Ma Y., Yao Y., Liu H., Iitaka T. The Journal of Chemical Physics. Том 140. 2014. 124707 с.
HIDDEN THERMODYNAMIC GROUND STATE OF CALCIUM DIAZENIDE Статья Wang H., Si Y., Wu Z., Yao Y., Vaitheeswaran G. Journal of Physical Chemistry C. Том 118. 2014. С. 650-656
DIHYDROGEN BONDING IN COMPRESSED AMMONIA BORANE AND ITS ROLES IN STRUCTURAL STABILITY Статья Yao Y., Yong X., Tse J.S., Greschner M.J. Journal of Physical Chemistry C. Том 118. 2014. С. 29591-29598
SUPERCONDUCTIVITY IN LITHIUM UNDER HIGH PRESSURE INVESTIGATED WITH DENSITY FUNCTIONAL AND ELIASHBERG THEORY Статья Yao Y., Tse J.S., Tanaka K., Marsiglio F., Ma Y. Physical Review B - Condensed Matter and Materials Physics. Том 79. 2009. 054524 с.
STRUCTURES OF INSULATING PHASES OF DENSE LITHIUM Статья Yao Y., Klug D.D., Tse J.S. Physical Review Letters. Том 102. 2009. 115503 с.
STRUCTURE AND ELECTRONIC PROPERTIES OF BAH<SUB>2</SUB> AT HIGH PRESSURE Статья Tse J.S., Song Z., Yao Y., Smith J.S., Desgreniers S., Klug D.D. Solid State Communications. Том 149. 2009. С. 1944-1946