Pressure-induced phase transition in α- and β-BiNbO4

Literature Information

Publication Date 2022-08-13
DOI 10.1039/D2CP03040C
Impact Factor 3.676
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Abstract

BiNbO4 has attracted a great deal of interest due to its excellent photocatalytic activities. Besides, it possesses rich polymorphism. Here, the structural stability and structural evolution of orthorhombic α- and triclinic β-BiNbO4 were investigated via in situ X-ray diffraction patterns and Raman spectra up to 46.7 GPa. Upon compression, both BiNbO4 samples become unstable. α-BiNbO4 transformed into the monoclinic C2/c structure at 10.3 GPa, while β-BiNbO4 possessed one P-to-P1 isostructural phase transition around 12.7 GPa, and for the first time the crystal structure of each high pressure phase was identified. Both high pressure structures remained stable without obvious symmetry changes during compression to 46.7 GPa. In addition, both phase transitions were reversible upon decompression. These results provide insights to understand pressure-induced reversible phase transition in ABO4 compounds with polymorphism.

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Front cover

2022-08-31 Cover

DOI: 10.1039/D2CP90160A

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Source Journal

Physical Chemistry Chemical Physics

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