XANES and EXAFS probing of d-elements nature in High-Entropy Clorides

High-entropy materials (HEMs) such as High-Entropy Oxides (HEOs) offer great structural diversity with astonishing potential to fine tune material properties depending on stoichiometry and composition. High-entropy chlorides (HECl’s) offer similar structural diversity to HEOs and share potential applications in solid-state energy materials such as electrolytes or electrodes for all-solid-state-lithium-ion-batteries. We will perform a systematic XANES and EXAFS study of HECL containing Co2+, Fe2+, Mn2+, Ni2+ Zn2+ , and Sc3+. It will be supported by DFT+U calculations alongside with SC-XRD and other methods. As a result, we will have a comprehensive structural models, electronic states and either verification or denial of the presence of transition metal clusters for these HECl systems to correlate structure and composition to numerous electrochemical properties such as ionic conductivity and electrochemical stability within batteries.