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      Ferroelectric oxide surface chemistry: water splitting via pyroelectricity

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          Abstract

          We propose a cyclic catalytic system that splits water by harnessing the pyroelectric effect in ferroelectric oxides.

          Abstract

          There is widespread interest in finding sustainable replacements for fossil fuels, and hence hydrogen production via water splitting has received much attention. However, finding efficient water splitting methods remains a challenge. We use first principles theory to design a catalytic cycle for water splitting that employs the pyroelectric effect in ferroelectrics. Taking PbTiO 3 as an example, we show that actively controlling the ferroelectric polarization via cyclic temperature modulations can catalyze the splitting of H 2O into O 2 and H 2. In practice, the energy needed to drive this cycle may be provided by low/intermediate grade heat. Since no precious metals are used in this catalytic cycle, this approach may lead to viable water-splitting methods that employ earth-abundant elements.

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          Soft self-consistent pseudopotentials in a generalized eigenvalue formalism

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            Improved tangent estimate in the nudged elastic band method for finding minimum energy paths and saddle points

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              Magnetic control of ferroelectric polarization.

              The magnetoelectric effect--the induction of magnetization by means of an electric field and induction of polarization by means of a magnetic field--was first presumed to exist by Pierre Curie, and subsequently attracted a great deal of interest in the 1960s and 1970s (refs 2-4). More recently, related studies on magnetic ferroelectrics have signalled a revival of interest in this phenomenon. From a technological point of view, the mutual control of electric and magnetic properties is an attractive possibility, but the number of candidate materials is limited and the effects are typically too small to be useful in applications. Here we report the discovery of ferroelectricity in a perovskite manganite, TbMnO3, where the effect of spin frustration causes sinusoidal antiferromagnetic ordering. The modulated magnetic structure is accompanied by a magnetoelastically induced lattice modulation, and with the emergence of a spontaneous polarization. In the magnetic ferroelectric TbMnO3, we found gigantic magnetoelectric and magnetocapacitance effects, which can be attributed to switching of the electric polarization induced by magnetic fields. Frustrated spin systems therefore provide a new area to search for magnetoelectric media.
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                Author and article information

                Journal
                JMCAET
                Journal of Materials Chemistry A
                J. Mater. Chem. A
                Royal Society of Chemistry (RSC)
                2050-7488
                2050-7496
                2016
                2016
                : 4
                : 14
                : 5235-5246
                Affiliations
                [1 ]Department of Physics
                [2 ]Yale University
                [3 ]New Haven
                [4 ]USA
                [5 ]Center for Research on Interface Structure and Phenomena (CRISP)
                Article
                10.1039/C6TA00513F
                22556a2f-a4fa-464a-b7e6-4c0c86cd071e
                © 2016
                History

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