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Such an all-in-one electrode with impressive photovoltaic properties provides a promising platform for PEC applications with high efficiency, eco-friendly, excellent stability and low cost. © 2020 IOP Publishing Ltd.Orientational disorder of the molecular carbonate anions in BaCO3, which occurs naturally as the mineral witherite, has been studied using a combination of neutron total scattering analysed by the Reverse Monte Carlo method and molecular dynamics simulations. The primary focus is on the phase transition to the cubic phase,
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