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Pressure-induced chemical decomposition of copper orthovanadate (α-Cu3V2O8)

DOI: 10.1039/D1TC02901K DOI Help

Authors: Daniel Díaz-Anichtchenko (Universitat de València) , Robin Turnbull (Universitat de València) , Enrico Bandiello (Universitat de València) , Simone Anzellini (Diamond Light Source; CEA) , Srungarpu Nagabhusan Achary (Bhabha Atomic Research Centre) , Daniel Errandonea (Bhabha Atomic Research Centre)
Co-authored by industrial partner: No

Type: Journal Paper
Journal: Journal Of Materials Chemistry C , VOL 43

State: Published (Approved)
Published: September 2021
Diamond Proposal Number(s): 21610

Abstract: The high pressure stability of α-Cu3V2O8 has been investigated via complementary high pressure synchrotron X-ray diffraction experiments and theoretical density functional theory calculations. The results of both experiment and theory are in close agreement. The main result of this work is that α-Cu3V2O8 undergoes a pressure-induced chemical decomposition into CuO and V2O5 at a modest pressure of ∼1.35 GPa according to the experimental observations, and at ∼2.45 GPa according to the calculations. The decomposition is investigated with enthalpy calculations and one of the main driving factors is the stability of the octhedral oxygen-coordination of the metal atoms in the decompositon products. Additionally, we determine the bulk modulus of α-Cu3V2O8 to be the lowest of all known vanadates, at 52(2) GPa, due to its crystal structure, and determine the corresponding isothermal compressibility tensor.

Diamond Keywords: Photocatalysis

Subject Areas: Materials, Chemistry, Environment


Instruments: I15-Extreme Conditions

Added On: 10/09/2021 09:35

Discipline Tags:

Earth Sciences & Environment Climate Change Physical Chemistry Catalysis Chemistry Materials Science

Technical Tags:

Diffraction X-ray Powder Diffraction