Clathrate ice sL: a new crystalline phase of ice with ultralow density predicted by first-principles phase diagram computations
文献情報
Lars Ojamäe
In contrast to the rich knowledge of water and 17 experimentally confirmed crystalline phases of solid water under positive pressures, water under negative pressure has been poorly explored. In this study, a new crystalline phase of ice with ultralow density (0.6 g cm−3), named “clathrate ice sL”, is constructed by nano water cage clusters, and it is predicted to be stable under a lower negative pressure than the experimentally confirmed sII phase by first-principles phase diagram computations, thereby extending the phase diagram of water to negative pressure regions below −5170 bar at 0 K and below −4761 bar at 300 K. In addition, according to our theoretical prediction, the optimal hydrogen storage mass density in the new clathrate ice sL is 7.7 wt% (larger than the 2017 DOE target of 5.5 wt%), which would set a new record of hydrogen storage capacity in clathrate hydrates. The finding of clathrate ice sL not only proposes a new type of crystalline ice under negative pressure but also explores the potential applications of the ultralow density ice phases while extending the water phase diagram and enriching the knowledge of people about water.
関連文献
Outstanding spin-transport properties of a flexible phosphorene photodetector driven by the photogalvanic effect under mechanical strains
Yufeng Xie, Juan Zhao, Yibin Hu, Xiang Ye, Yiqun Xie, Ronggen Cao
DOI: 10.1039/D0CP06712A
The molecular structure of the surface of water–ethanol mixtures
Johannes Kirschner, Anderson H. A. Gomes, Olle Björneholm, Vincenzo Carravetta, Niklas Ottosson, Arnaldo Naves de Brito, Huib J. Bakker
DOI: 10.1039/D0CP06387H
Exploration of irradiation intensity dependent external in-band quantum yield for ZnO and CuO/ZnO photocatalysts
Kaiyi Luo, Wenyu Hu, Jiaxuan Wei, Qiuping Zhang, Zhonghao Wu, Dongyang Li, Feng Miao, Yi Huang, Min Xu, Jian Ma, Gang Chen, Xudong Cui, Pierre Ruterana
DOI: 10.1039/D0CP06649D
The O K−2V spectrum of CO: the influence of the second core-hole
S. Carniato, R. Püttner, J. B. Martins, D. Céolin, R. Feifel
DOI: 10.1039/D1CP00607J
Reversible photo- and thermal-effects on the luminescence of gold nanoclusters: implications for nanothermometry
Jan Valenta, Michael Greben, Goutam Pramanik, Petr Cigler
DOI: 10.1039/D0CP06467J
Ordered mesoporous metal oxides for electrochemical applications: correlation between structure, electrical properties and device performance
Erdogan Celik, Yanjiao Ma, Torsten Brezesinski
DOI: 10.1039/D1CP00834J
Influence of nuclear spins on electron spin coherence in isolated, p-doped tin clusters
Thomas M. Fuchs, Rolf Schäfer
DOI: 10.1039/D1CP01227D
Aqueous TMAO solution under high hydrostatic pressure
Inga Kolling, Christoph Hölzl, Sho Imoto, Serena R. Alfarano, Hendrik Vondracek, Lukas Knake, Fabio Novelli, Claudius Hoberg, Jean-Blaise Brubach, Pascale Roy, Harald Forbert, Gerhard Schwaab, Dominik Marx, Martina Havenith
DOI: 10.1039/D1CP00703C
こちらもおすすめ
2-メトキシ-4-(メチルスルフィニル)アミンの主な用途は何ですか?
2-メトキシ-4-(メチルスルフィニル)アミンは、主に医薬品および農薬の製造に使用されます。また、合成化学の一部として研究用材料としても利用されます。
4,6-二氯-N-甲基ピラミジンアミンの代替品はありますか?
代替品としては、4,6-二クロロピラミジンアミンや他のピラミジン系化合物が考えられます。ただし、目的と用途によって最適な代替品は異なります。
6-氯-4-甲基-1H-吲哚を含む廃棄物はどのように処理すべきですか?
6-氯-4-甲基-1H-吲哚の廃棄物は、適切な容器に収集し、密閉して保管します。温度は常温、湿度は低く、直射日光を避けて保管することを推奨します。廃棄処理は専門...
2-フローユロ-4-(トリフルオロメチル)ベンゾイドについて「に適用される法規ガイドラインは何ですか」
2-フローユロ-4-(トリフルオロメチル)ベンゾイドのCAS番号は207974-08-1です。この化合物はGHS分類で毒性物質と有害な反応物質として分類されます...
4-ニトロフェニルN-[(ベンゼルオキシルカーボンイル]グリシングリシングリシン酸はどのように保存すればよいですか?
4-ニトロフェニルN-[(ベンゼルオキシルカーボンイル]グリシングリシングリシン酸は、室温で暗所に保管し、乾燥した環境で保存することを推奨します。容器は密閉性の...
イソデスロラタドリンの代替品はありますか?
イソデスロラタドリンの代替品としては、デスロラタドリンや他の抗ヒスタミン薬が挙げられます。具体的には、デスロラタドリン、ラセカミド、フェルタドリンなどが、症状や...
5-甲氧基-1,2,3,4-四氢异喹啉盐酸盐はどのように合成されますか?
5-甲氧基-1,2,3,4-四氢异喹啉盐酸盐の一般的な合成方法は、メタノール中で5-メトキシ-1,2,3,4-四ヒュドロイソキシンを塩酸で塩化します。この反応で...
4-アミノ-5-メトキシ-2-トルエンサルホニック酸についての法規ガイドラインは何ですか?
CAS番号6471-78-9の4-アミノ-5-メトキシ-2-トルエンサルホニック酸は、GHS分類では corrosive(腐食性)と識別されます。EUのREAC...
甲基孕酮を取り扱う際の実験室安全事項は何ですか?
甲基孕酮の取り扱いは、PPE(個人保護具)の使用が必要な重要な安全事項を伴います。防塵マスク、ゴーグル、手袋を着用することが推奨されます。ドラフトチャンバーを使...
掲載誌
Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.










![4-Chloro-2-{[(2-chlorophenoxy)acetyl]amino}benzoic acid structure 4-Chloro-2-{[(2-chlorophenoxy)acetyl]amino}benzoic acid structure](https://static.chemtradehub.com/structs/351/351424-20-9-9467.webp)


![[(5-Methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetic acid structure [(5-Methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetic acid structure](https://static.chemtradehub.com/structs/509/50918-26-8-4ce8.webp)
