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FORMATION OF STABLE COMPOUNDS OF POTASSIUM AND IRON UNDER PRESSURE Article Adeleke A.A., Yao Y. Journal of Physical Chemistry A. American Chemical Society. Vol. 124. 2020. P. 4752-4763
PRESSURE-INDUCED DECOMPOSITION OF BINARY LANTHANUM INTERMETALLIC COMPOUNDS Article Yang X., Li H., Liu H., Wang H., Xie Y., Yao Y. Physical Review B. Vol. 101. 2020. 184113 p.
SUPERCONDUCTING ZIRCONIUM POLYHYDRIDES AT MODERATE PRESSURES Article 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. Vol. 11. 2020. P. 646-651
NITROGEN IN BLACK PHOSPHORUS STRUCTURE Article 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. Vol. 6. 2020. EABA9206 p.
PRESSURE-INDUCED STRUCTURAL TRANSFORMATIONS AND NEW POLYMORPHS IN BIVO<SUB>4</SUB> Article Cheng 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
TWO GOOD METALS MAKE A SEMICONDUCTOR: A POTASSIUM-NICKEL COMPOUND UNDER PRESSURE Article Adeleke A.A., Adeniyi A.O., Yao Y., Stavrou E., Wan B., Gou H. Physical Review B. Vol. 102. 2020. 134120 p.
A HIGH-PRESSURE COMPOUND OF ARGON AND NICKEL: NOBLE GAS IN THE EARTH'S CORE? Article Adeleke A.A., Yao Y., Kunz M., Greenberg E., Prakapenka V.B., Stavrou E. ACS Earth and Space Chemistry. Vol. 3. 2019. P. 2517-2524
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PREDICTION OF STABLE IRON NITRIDES AT AMBIENT AND HIGH PRESSURES WITH PROGRESSIVE FORMATION OF NEW POLYNITROGEN SPECIES Article 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. Vol. 30. 2018. P. 8476-8485
SUPERCONDUCTING HYDROGEN SULFIDE Article Yao Y., Tse J.S. Chemistry - A European Journal. Wiley-VCH Verlag. Vol. 24. 2018. P. 1769-1778
B1-B2 PHASE TRANSITION MECHANISM AND PATHWAY OF PBS UNDER PRESSURE Article Adeleke A.A., Yao Y. The Journal of Chemical Physics. Vol. 148. 2018. 104503 p.
USING COHERENT PHONONS FOR ULTRAFAST CONTROL OF THE DIRAC NODE OF SRMNSB2 Article 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. Vol. 98. 2018. 155115 p.
REVEALING THE FORMATION MECHANISM OF ULTRAHARD NANOTWINNED DIAMOND FROM ONION CARBON Article 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. Vol. 129. 2018. P. 159-167
SYNTHESIS OF XENON AND IRON-NICKEL INTERMETALLIC COMPOUNDS AT EARTH'S CORE THERMODYNAMIC CONDITIONS Article Stavrou 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.
CRYSTAL STRUCTURES OF TRANSITION METAL PERNITRIDES PREDICTED FROM FIRST PRINCIPLES Article Yu R., Sun E., Jiao L., Wang H., Yao Y., Cai Y. RSC Advances. Vol. 8. 2018. P. 36412-36421
NOVEL BORON CHANNEL-BASED STRUCTURE OF BORON CARBIDE AT HIGH PRESSURES Article Zhang X., Cheng T., Chen H., Zhao Y., Zhang M., Liu H., Yao Y. Journal of Physics Condensed Matter. Vol. 29. 2017. 455401 p.
NEW MULTIFUNCTIONAL TUNGSTEN NITRIDE WITH ENERGETIC N<SUB>6</SUB> AND EXTREME HARDNESS PREDICTED FROM FIRST PRINCIPLES Article Li Q., Sha L., Zhu C., Yao Y. EPL. Institute of Physics and IOP Publishing Limited. Vol. 118. 2017. 46001 p.
SUPERCONDUCTIVITY IN FEH5 Article Majumdar A., Tse J.S., Wu M., Yao Y. Physical Review B. Vol. 96. 2017. 201107 p.
PIEZOCHROMISM AND STRUCTURAL AND ELECTRONIC PROPERTIES OF BENZ[A] ANTHRACENE UNDER PRESSURE Article Cai W., Zhang R., Deemyad S., Yao Y. Physical Chemistry Chemical Physics. Vol. 19. 2017. P. 6216-6223
SINGLE-BONDED ALLOTROPE OF NITROGEN PREDICTED AT HIGH PRESSURE Article Adeleke 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.
MODULATED STRUCTURE CALCULATED FOR SUPERCONDUCTING HYDROGEN SULFIDE Article Majumdar A., Tse J.S., Yao Y. Angewandte Chemie - International Edition. Vol. 56. 2017. P. 11390-11393
CRYSTALLINE LIN<SUB>5</SUB> PREDICTED FROM FIRST-PRINCIPLES AS A POSSIBLE HIGH-ENERGY MATERIAL Article Peng F., Yao Y., Liu H., Ma Y. Journal of Physical Chemistry Letters. American Chemical Society. Vol. 6. 2015. P. 2363-2366
STABLE STRUCTURES OF HE AND H2 O AT HIGH PRESSURE Article Liu H., Yao Y., Klug D.D. Physical Review B - Condensed Matter and Materials Physics. Vol. 91. 2015. 014102 p.
EXOTIC STABLE CESIUM POLYNITRIDES AT HIGH PRESSURE Article Peng F., Han Y., Liu H., Yao Y. Scientific Reports. Nature Publishing Group. Vol. 5. 2015. 16902 p.
STRUCTURES AND STABILITY OF NOVEL TRANSITION-METAL (M = CO, RH, CO AND IR) BORIDES Article 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. Vol. 92. 2015. 174106 p.
HYDROGEN SEGREGATION AND ITS ROLES IN STRUCTURAL STABILITY AND METALLIZATION: SILANE UNDER PRESSURE Article Cui W., Shi J., Wang H., Ma Y., Liu H., Yao Y., Iitaka T. Scientific Reports. Nature Publishing Group. Vol. 5. 2015. 13039 p.
THEORETICAL PREDICTIONS OF NOVEL SUPERCONDUCTING PHASES OF BAGE<SUB>3</SUB> STABLE AT ATMOSPHERIC AND HIGH PRESSURES Article Zurek E., Yao Y. Inorganic Chemistry. Vol. 54. 2015. P. 2875-2884
AMBIENT-PRESSURE POLYMERIZATION OF CARBON ANIONS IN THE HIGH-PRESSURE PHASE MG<SUB>2</SUB>C Article Stefanoski S., Strobel T.A., Liu H., Yao Y. Inorganic Chemistry. Vol. 54. 2015. P. 10761-10765
DIHYDROGEN BONDING IN COMPRESSED AMMONIA BORANE AND ITS ROLES IN STRUCTURAL STABILITY Article Yao Y., Yong X., Tse J.S., Greschner M.J. Journal of Physical Chemistry C. Vol. 118. 2014. P. 29591-29598
METALLIZATION AND SUPERCONDUCTIVITY OF BEH<SUB>2</SUB> UNDER HIGH PRESSURE Article Wang 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 Article Wang H., Si Y., Wu Z., Yao Y., Vaitheeswaran G. Journal of Physical Chemistry C. Vol. 118. 2014. P. 650-656
SUPERCONDUCTIVITY IN LITHIUM UNDER HIGH PRESSURE INVESTIGATED WITH DENSITY FUNCTIONAL AND ELIASHBERG THEORY Article Yao Y., Tse J.S., Tanaka K., Marsiglio F., Ma Y. Physical Review B - Condensed Matter and Materials Physics. Vol. 79. 2009. 054524 p.
STRUCTURES OF INSULATING PHASES OF DENSE LITHIUM Article Yao Y., Klug D.D., Tse J.S. Physical Review Letters. Vol. 102. 2009. 115503 p.
STRUCTURE AND ELECTRONIC PROPERTIES OF BAH<SUB>2</SUB> AT HIGH PRESSURE Article Tse J.S., Song Z., Yao Y., Smith J.S., Desgreniers S., Klug D.D. Solid State Communications. Vol. 149. 2009. P. 1944-1946
EFFECT OF PRESSURE ON THE IRON ARSENIDE SUPERCONDUCTOR LI<SUB>X</SUB> FEAS (X=0.8,1.0,1.1) Article Zhang S.J., Wang X.C., Yang L.X., Li Z., Liu Q.Q., Jin C.Q., Sammynaiken R., Tse J.S., Desgreniers S., Yao Y., Liu H.Z. Physical Review B - Condensed Matter and Materials Physics. Vol. 80. 2009. 014506 p.
CORE EFFECTS ON THE ENERGETICS OF SOLID LI AT HIGH PRESSURE Article Yao Y., Tse J.S., Song Z., Klug D.D. Physical Review B - Condensed Matter and Materials Physics. Vol. 79. 2009. 092103 p.
CRYSTAL AND ELECTRONIC STRUCTURE OF SUPERHARD BC5: FIRST-PRINCIPLES STRUCTURAL OPTIMIZATIONS Article Yao Y., Klug D.D., Tse J.S. Physical Review B - Condensed Matter and Materials Physics. Vol. 80. 2009. 094106 p.
ELECTRONIC STRUCTURE OF Ε-OXYGEN AT HIGH PRESSURE: GW CALCULATIONS Article Tse J.S., Yao Y., Klug D.D., Desgreniers S. Physical Review B - Condensed Matter and Materials Physics. Vol. 78. 2008. 132101 p.
SUPERCONDUCTIVITY IN HYDROGEN DOMINANT MATERIALS: SILANE Article Eremets M.I., Trojan I.A., Medvedev S.A., Tse J.S., Yao Y. Science. American Association for the Advancement of Science. Vol. 319. 2008. P. 1506-1509
METASTABLE HIGH-PRESSURE SINGLE-BONDED PHASES OF NITROGEN PREDICTED VIA GENETIC ALGORITHM Article Yao Y., Tse J.S., Tanaka K. Physical Review B - Condensed Matter and Materials Physics. Vol. 77. 2008. 052103 p.
PRESSURE-INDUCED STRUCTURAL TRANSFORMATION IN SOLID XENON STUDIED BY RAMAN SPECTROSCOPY Article Shimizu H., Kume T., Sasaki S., Wada N., Yao Y., Tse J.S. Physical Review B - Condensed Matter and Materials Physics. Vol. 77. 2008. 052101 p.
BONDING IN THE Ε-PHASE OF HIGH PRESSURE OXYGEN Article Tse S., Yao Y., Klug D., Desgreniers S. Journal of Physics: Conference Series. Vol. 121. 2008. 012006 p.
STRUCTURE AND SPECTROSCOPIC PROPERTIES OF DENSE SOLID HYDROGEN AT 160 GPA Article Tse J.S., Yao Y., Klug D.D., Page Y.L., Rodgers J.R. Solid State Communications. Vol. 145. 2008. P. 5-10
PRESSURE-INDUCED HYDROGEN-DOMINANT METALLIC STATE IN ALUMINUM HYDRIDE Article Goncharenko I., Eremets M.I., Trojan I.A., Hanfland M., Amboage M., Tse J.S., Yao Y. Physical Review Letters. Vol. 100. 2008. 045504 p.
SUPERCONDUCTIVITY IN HIGH-PRESSURE SIH<SUB>4</SUB> Article Yao Y., Tse J.S., Tanaka K., Ma Y. EPL. Institute of Physics and IOP Publishing Limited. Vol. 78. 2007. 37003 p.
ELECTRON-PHONON COUPLING IN THE HIGH-PRESSURE HCP PHASE OF XENON: A FIRST-PRINCIPLES STUDY Article Yao Y., Tse J.S. Physical Review B - Condensed Matter and Materials Physics. Vol. 75. 2007.
SUPERCONDUCTIVITY IN HIGH-PRESSURE SOLIDS Article Tse J.S., Yao Y., Ma Y. Journal of Physics Condensed Matter. Vol. 19. 2007. 425208 p.