Yu Wang, Konstantin Glazyrin, Valery Roizen, Artem Oganov, Ivan Chernyshov, Xiao Zhang, Eran Greenberg, Vitali B. Prakapenka, Xue Yang, Shu-qing Jiang, Alexander F. Goncharov
备注：
9 pages, 4 figures, 1 table; Supplementary materials: Materials and Methods, Supplementary Figures S1-S8, Tables S1-S3, and Bibliography with 18 References
We report a new hydrogen clathrate hydrate synthesized at 1.2 GPa and 298 K documented by single-crystal X-ray diffraction, Raman spectroscopy, and first-principles calculations. The oxygen sublattice of the new clathrate hydrate matches that of ice II, while hydrogen molecules are in the ring cavities, which results in the trigonal R3c or R-3c space group (proton ordered or disordered, respectively) and the composition of (H2O)6H2. Raman spectroscopy and theoretical calculations reveal a hydrogen disordered nature of the new phase C1', distinct from the well-known ordered C1 clathrate, to which this new structure transforms upon compression and/or cooling. This new clathrate phase can be viewed as a realization of a disordered ice II, unobserved before, in contrast to all other ordered ice structures.
Thermodynamical study of N$_2$ clathrate hydrate from DFT calculations
Université Marie et Louis Pasteur（玛丽和路易·巴斯德大学）；Donostia International Physics Center, Universidad del País Vasco / Euskal Herriko Unibertsitatea（圣塞巴斯蒂安国际物理中心，巴斯克大学）；Université de Bordeaux（波尔多大学）
Benchmarking the performance of Density Functional Theory and Point Charge Force Fields in their Description of sI Methane Hydrate against Diffusion Monte Carlo
Formation and Thermodynamic Behavior of THF-Water Hydrates in Confined Mesoporous Media
Institute of Physics of Rennes, CNRS-University of Rennes 1（雷恩物理研究所，法国国家科学研究中心-雷恩第一大学）；Laboratoire Léon Brillouin（莱昂·布里渊实验室）；Institut des Sciences moléculaires, UMR5255 CNRS – Université de Bordeaux（分子科学研究所，法国国家科学研究中心-波尔多大学）
Explicit treatment of hydrogen bonds in the Universal Force Field: validation and application for Metal-Organic Frameworks, hydrates and host-guest complexes
Cryogenic stabilization of molecular hydrogen in dense cubic ice
École Polytechnique Fédérale de Lausanne（洛桑联邦理工学院）；École Polytechnique（巴黎综合理工学院）；The University of Tokyo（东京大学）；European Synchrotron Radiation Facility（欧洲同步辐射装置）；Institut Laue-Langevin（朗之万研究所）；CSIC – Universidad de Zaragoza（西班牙高等科学研究理事会–萨拉戈萨大学）；Sorbonne Université（索邦大学）；Sapienza Università di Roma（罗马智慧大学）
Dual quantum locking: Dynamic coupling of hydrogen and water sublattices in hydrogen filled ice
Sorbonne Université, CNRS UMR 7590, MNHN（索邦大学）；Laboratory of Quantum Magnetism, Institute of Physics, École Polytechnique Fédéerale de Lausanne（洛桑联邦理工学院物理研究所量子磁学实验室）；Dipartimento di Fisica, Sapienza Università di Roma（罗马大学物理系）；Laboratoire pour l’Utilisation des Lasers Intenses (LULI), École Polytechnique（巴黎综合理工学院强激光利用实验室）；Institut Laue-Langevin（朗之万研究所）
Negative Thermal Expansion in Cubic Ice: A Collective Quantum Effect of the hydrogen-bond network
Laboratoire de physique de L’École normale supérieure de Paris, CNRS, ENS & Université PSL, Sorbonne Université, Université de Paris（巴黎高等师范学院物理实验室，法国国家科学研究中心，巴黎高等师范学院，巴黎文理研究大学，索邦大学，巴黎大学）；Institut Universitaire de France (IUF)（法兰西学院）；Laboratory for Quantum Magnetism, Institute of Physics, École Polytechnique Fédéerale de Lausanne（洛桑联邦理工学院物理研究所量子磁性实验室）；Institut de Minéralogie, de Physique des Matériaux et de Cosmochimie (IMPMC), Sorbonne Université, CNRS UMR 7590, MNHN（索邦大学，法国国家科学研究中心联合研究单位7590，自然历史博物馆矿物学、材料物理与宇宙化学研究所）；Dipartimento di Fisica, Sapienza Università di Roma（罗马智慧大学物理系）
