Characterisation of lithium copper hydrides - SANDALS

“Simple” copper hydrides are very scarce. The only known systems are: (i) CuH, (ii) Ba7Cu3H17 (which contains [CuH4]3– and H– ions), (iii) Zr2CuD5 (limiting composition: 2Zr2+ [Cu+D3]2– 2D–) and (iv) LixCuyH(x+y) ( known for (x,y) = (1,1), (2,1), (3,1), (4,1), (5,1), (1,2), (2,3)). The aim of this proposal (and a related one for TOSCA) is to understand how the hydrogen is present in the materials. The first peak in the radial distribution function will be the Cu–H(D) distance, by using both the protonated and deuterated compounds, we can unambiguously show that this is the case. Only with neutron total scattering is this possible. By comparison with Ba7Cu3H17 and Zr2CuH5, the bond length should show whether the hydride is interstitial, terminal, two-, three-or fourfold bridging.