Structural manifestation of partial proton ordering and defect mobility in ice Ih

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发布日期 2019-03-28
DOI 10.1039/C9CP01234F
影响因子 3.676
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摘要

Water ice is one of the most fundamental and well-studied molecular solids, which continues to provide surprising and useful insights into its emergent complexity as ever more precise experimental techniques are applied. Using one of the highest resolution neutron powder diffraction instruments in the world, I report a small but systematic distribution in the c/a axial ratios of D2O ice Ih below 160 K that depends upon both the preparation method and the thermal history of the sample. The general decrease in c/a on cooling is interpreted as a consequence of short-range partial ordering in the hydrogen-atom substructure: the synthesis-dependent variation then follows from there being a spectrum of relaxation times between samples formed by slow natural freezing, samples formed by very rapid quench-freezing and samples formed with a small amount of alkali hydroxide dopant, probably due to differences in the relative abundance of orientational versus ionic point defects.

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来源期刊

Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
自引率: 10.3%
年发文量: 3036

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.

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