A medium range order structural connection to the configurational heat capacity of borate–silicate mixed glasses

Literature Information

Publication Date 2016-03-15
DOI 10.1039/C6CP00749J
Impact Factor 3.676
Authors

Morten M. Smedskjaer, Haizheng Tao, Lars R. Jensen, Xiujian Zhao


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Abstract

It has been reported that the configurational heat capacity (Cp,conf) first increases and then becomes saturated with increasing B2O3/SiO2 ratio in borate–silicate mixed glasses. Through Raman spectroscopy measurements, we have, in this work, found an implication for the intermediate range order (IRO) structural connection to the composition dependence of the Cp,conf of borate–silicate mixed glasses. In the silica-rich compositions, the Cp,conf rapidly increases with increasing B2O3 content. This is attributed to the increase of the content of the B–O–Si network units ([B2Si2O8]2−) and 6-membered borate rings with 1 or 2 B4. In the boron-rich compositions, the Cp,conf is almost constant, independent of the increase in the B2O3/SiO2 ratio. This is likely attributed to the counteraction between the decrease of the fraction of two types of metaborate groups and the increase of the fraction of other borate superstructural units (particularly 6-membered borate rings). The overall results suggest that the glasses containing more types of superstructural units have a larger Cp,conf.

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Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
Self-citation Rate: 10.3%
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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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