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  1. Article

    Open Access

    Electrostatic force driven helium insertion into ammonia and water crystals under pressure

    Helium, ammonia and ice are among the major components of giant gas planets, and predictions of their chemical structures are therefore crucial in predicting planetary dynamics. Here we demonstrate a strong dr...

    Yihong Bai, Zhen Liu, Jorge Botana, Dadong Yan, Hai-Qing Lin… in Communications Chemistry (2019)

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  2. Article

    Open Access

    Carbon network evolution from dimers to sheets in superconducting ytrrium dicarbide under pressure

    Carbon-bearing compounds display intriguing structural diversity, due to variations in hybrid bonding of carbon. Here, first-principles calculations and unbiased structure searches on yttrium dicarbide at pres...

    **aolei Feng, Siyu Lu, Chris J. Pickard, Hanyu Liu… in Communications Chemistry (2018)

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  3. No Access

    Article

    Synthesis and stability of xenon oxides Xe2O5 and Xe3O2 under pressure

    The noble gases are the most inert group of the periodic table, but their reactivity increases with pressure. Diamond-anvil-cell experiments and ab initio modelling have been used to investigate a possible direct...

    Agnès Dewaele, Nicholas Worth, Chris J. Pickard, Richard J. Needs… in Nature Chemistry (2016)

  4. No Access

    Article

    Reactions of xenon with iron and nickel are predicted in the Earth's inner core

    Studies of the Earth's atmosphere have shown that more than 90% of the expected amount of Xe is depleted, a finding often referred to as the ‘missing Xe paradox’. Although several models for a Xe reservoir hav...

    Li Zhu, Hanyu Liu, Chris J. Pickard, Guangtian Zou, Yanming Ma in Nature Chemistry (2014)