DataVXChemistry of MaterialsPaper
journal article·2021-02-23

Strong Negative Thermal Expansion of Cu2PVO7 in a Wide Temperature Range

Naike Shi, Andrea Sanson, Qiang Sun, Longlong Fan, Alessandro Venier, Danilo Oliveira de Souza, Xianran Xing, Jun Chen

Chemistry of Materials· Volume 33· Issue 4
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Source abstract

Abstract

Negative thermal expansion (NTE) is an abnormal thermophysical phenomenon. Although NTE has been discovered in a growing number of materials, it is difficult to achieve both strong NTE and a wide operating temperature range in one material. In this work, the strong NTE of the oxide Cu2PVO7 is reported in a wide temperature range (αv ∼ −26.01 × 10–6 K–1, 100–648 K), where the thermal expansion is highly anisotropic. The NTE capacity of Cu2PVO7 is outstanding among the NTE framework structure oxides. Joint methods of high-resolution synchrotron X-ray diffraction, extended X-ray absorption fine structure, pair distribution function of synchrotron X-ray total scattering, density functional theory calculations, and maximum entropy model calculations were carried out to reveal the NTE mechanism of Cu2PVO7. Transverse vibrations of O atoms together with deformations of CuO5 and P/VO4 polyhedral units account for the rotation and twist among the polyhedra, leading to the NTE. The present work pushes forward progress in research regarding strong NTE oxides.
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Research context

OpenAlex topics: Thermal Expansion and Ionic Conductivity · Advanced Battery Materials and Technologies · Microwave Dielectric Ceramics Synthesis

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

Affiliations

Beijing Advanced Innovation Center for Materials Genome Engineering and Department of Physical Chemistry, University of Science and Technology Beijing, Beijing 100083, China

Department of Physics and Astronomy, University of Padova, Padova I-35131, Italy

School of Physics and Engineering, Zhengzhou, University, Zhengzhou 450001, China

College of Physics and Materials Science, Tianjin Normal University, Tianjin 300387, China

X-ray Science Division, Argonne National Laboratory, Argonne, Illinois 60439, United States

Elettra Sincrotrone Trieste, I-34149 Basovizza, Italy

School of Mathematics and Physics, University of Science and Technology Beijing, Beijing 100083, China

Funding

Ministry of Education of the People's Republic of China · National Natural Science Foundation of China · Fundamental Research Funds for the 436 Central Universities, China

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