QUANTUM AND CLASSICAL PROTON DIFFUSION IN SUPERCONDUCTING CLATHRATE HYDRIDES Article Wang H., Yao Y., Peng F., Liu H., Hemley R.J. Physical Review Letters. Vol. 126. 2021. 117002 p.
NEW-PHASE RETENTION IN COLLOIDAL CORE/SHELL NANOCRYSTALS: VIA PRESSURE-MODULATED PHASE ENGINEERING Article Wang Y., Liu H., Wu M., Wang K., Sui Y., Liu Z., Yang X., Zou B., Lu S., Nie Z., Tse J.S. Chemical Science. Royal Society of Chemistry. Vol. 12. 2021. P. 6580-6587
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.
AN AUTOMATED PREDICTOR FOR IDENTIFYING TRANSITION STATES IN SOLIDS Article Yin K., Gao P., Shao X., Gao B., Liu H., Lv J., Tse J.S., Wang Y., Ma Y. Npj Computational Materials. Vol. 6. 2020. 16 p.
THEORETICAL INVESTIGATION OF THE VALENCE STATES IN AU VIA THE AU-F COMPOUNDS UNDER HIGH PRESSURE Article Liu G., Liu H., Feng X., Redfern S.A.T., Wang L., Gao G., Yong X. Physical Chemistry Chemical Physics. Vol. 21. 2019. P. 17621-17627
FIRST-PRINCIPLES MOLECULAR DYNAMICS SIMULATIONS OF SINGLE NITROGEN BOND STRUCTURES IN A N <SUB>2</SUB> –H <SUB>2</SUB> SYSTEM UNDER PRESSURE Article Zhong X., Liu H., Tse J.S. Solid State Communications. Vol. 290. 2019. P. 27-30
HARD BN CLATHRATE SUPERCONDUCTORS Article Li X., Liu H., Yong X., Lu S., Wu M., Meng S., Tse J.S., Li Y. Journal of Physical Chemistry Letters. American Chemical Society. Vol. 10. 2019. P. 2554-2560
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 AND ELECTRONIC PROPERTIES OF XE-CL COMPOUNDS AT HIGH PRESSURE Article Zarifi N., Zurek E., Liu H., Tse J.S. Journal of Physical Chemistry C. Vol. 122. 2018. P. 2941-2950
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
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.
HOW FUNCTIONAL GROUPS CHANGE THE ELECTRONIC STRUCTURE OF GRAPHDIYNE: THEORY AND EXPERIMENT Article Ketabi N., Tolhurst T.M., Leedahl B., Moewes A., Liu H., Li Y. Carbon. Elsevier Ltd. Vol. 123. 2017. P. 1-6
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.
CRYSTAL STRUCTURES OF CAB<SUB>3</SUB>N<SUB>3</SUB> AT HIGH PRESSURES Article Zhang M., Chen J., Tse J.S., Guo Y., Zhu L., Liu H., Feng X., Redfern S.A.T. Inorganic Chemistry. Vol. 56. 2017. P. 7449-7453
ELECTRON-PHONON COUPLING MECHANISMS FOR HYDROGEN-RICH METALS AT HIGH PRESSURE Article Tanaka K., Tse J.S., Liu H. Physical Review B. Vol. 96. 2017. 100502 p.
PREDICTION OF THE XE-HE BINARY PHASE DIAGRAM AT HIGH PRESSURES Article Wang Y., Zhang J., Yang G., Liu H. Chemical Physics Letters. Elsevier. Vol. 640. 2015. P. 115-118
A NEW HIGH-PRESSURE POLYMERIC NITROGEN PHASE IN POTASSIUM AZIDE Article Zhang M., Yan H., Wei Q., Liu H. RSC Advances. Vol. 5. 2015. P. 11825-11830
CRYSTAL STRUCTURES AND CHEMICAL BONDING OF MAGNESIUM CARBIDE AT HIGH PRESSURE Article Liu H., Li Y., Tse J.S., Gao G., Hao J. Journal of Physical Chemistry C. Vol. 119. 2015. P. 23168-23174
HIGH-ENERGY DENSITY AND SUPERHARD NITROGEN-RICH B-N COMPOUNDS Article Li Y., Hao J., Liu H., Lu S., Tse J.S. Physical Review Letters. Vol. 115. 2015. 105502 p.
PRESSURE-INDUCED ZIGZAG PHOSPHORUS CHAIN AND SUPERCONDUCTIVITY IN BORON MONOPHOSPHIDE Article Zhang X., Zhang S., Ma M., Liu R., Qin J., Liu H., Luo W., Ahuja R. Scientific Reports. Nature Publishing Group. Vol. 5. 2015. 8761 p.
HIGH-PRESSURE HYDROGEN SULFIDE FROM FIRST PRINCIPLES: A STRONGLY ANHARMONIC PHONON-MEDIATED SUPERCONDUCTOR Article Errea I., Calandra M., Mauri F., Pickard C.J., Nelson J., Needs R.J., Li Y., Liu H., Zhang Y., Ma Y. Physical Review Letters. Vol. 114. 2015. 157004 p.
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.
PRESSURE-STABILIZED SUPERCONDUCTIVE YTTRIUM HYDRIDES Article Li Y., Hao J., Wang Y., Ma Y., Liu H., Tse J.S. Scientific Reports. Nature Publishing Group. Vol. 5. 2015. 9948 p.
UNRAVELING STABLE VANADIUM TETRABORIDE AND TRIBORIDE BY FIRST-PRINCIPLES COMPUTATIONS Article Wu L., Wan B., Zhao Y., Zhang Y., Wang Y., Zhang J., Gou H., Liu H. Journal of Physical Chemistry C. Vol. 119. 2015. P. 21649-21657
THE ELECTRICAL CONDUCTIVITY OF AL<SUB>2</SUB>O<SUB>3</SUB> UNDER SHOCK-COMPRESSION Article Liu H., Tse J.S., Nellis W.J. Scientific Reports. Nature Publishing Group. Vol. 5. 2015. 12823 p.
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
POLYMERIZATION OF NITROGEN IN AMMONIUM AZIDE AT HIGH PRESSURES Article Yu H., Duan D., Tian F., Li D., Huang X., Liu Y., Liu B., Cui T., Liu H. Journal of Physical Chemistry C. Vol. 119. 2015. P. 25268-25272
MECHANISMS FOR PRESSURE-INDUCED CRYSTAL-CRYSTAL TRANSITION, AMORPHIZATION, AND DEVITRIFICATION OF SNI<SUB>4</SUB> Article Liu H., Tse J.S., Hu M.Y., Bi W., Zhao J., Alp E.E., Pasternak M., Taylor R.D., Lashley J.C. The Journal of Chemical Physics. Vol. 143. 2015. 164508 p.
PREDICTED TWO-DIMENSIONAL ELECTRIDES: LITHIUM-CARBON MONOLAYER SHEET Article Lu M., Zhang M., Liu H. Physics Letters, Section A: General, Atomic and Solid State Physics. Vol. 379. 2015. P. 2511-2514
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.
PREDICTION OF NOVEL CRYSTAL STRUCTURES AND SUPERCONDUCTIVITY OF COMPRESSED HBR Article Lu S., Yang B., Wu M., Liu H., Tse J.S. RSC Advances. Vol. 5. 2015. P. 45812-45816
FIRST-PRINCIPLES STUDY ON THE STRUCTURAL AND ELECTRONIC PROPERTIES OF METALLIC HFH<SUB>2</SUB> UNDER PRESSURE Article Liu Y., Huang X., Duan D., Tian F., Li D., Zhao Z., Sha X., Yu H., Zhang H., Liu B., Cui T., Liu H. Scientific Reports. Nature Publishing Group. Vol. 5. 2015. 11381 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.
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.
THE METALLIZATION AND SUPERCONDUCTIVITY OF DENSE HYDROGEN SULFIDE Article Li Y., Hao J., Liu H., Ma Y. The Journal of Chemical Physics. Vol. 140. 2014. 174712 p.
HARDNESS OF FEB<SUB>4</SUB>: DENSITY FUNCTIONAL THEORY INVESTIGATION Article Zhang M., Du Y., Gao L., Lu M., Lu C., Liu H. The Journal of Chemical Physics. Vol. 140. 2014. 174505 p.
SUPERHARD SP<SUP>3</SUP> CARBON ALLOTROPE: AB INITIO CALCULATIONS Article Zhang Z., Zhang M., Liu H. EPL. Institute of Physics and IOP Publishing Limited. Vol. 108. 2014. 46006 p.
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.
STABILITY OF ROCKSALT PHASE OF ZINC OXIDE UNDER STRONG COMPRESSION: SYNCHROTRON X-RAY DIFFRACTION EXPERIMENTS AND FIRST-PRINCIPLES CALCULATION STUDIES Article Liu H., Mao H.-K., Tse J.S. Journal of Applied Physics. Vol. 100. 2006.