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cond-mat.mtrl-sci2019
Interaction between water and carbon nanostructures: How good are current density functional approximations?
Jan Gerit Brandenburg, Andrea Zen, Dario Alfè +1
Due to their current and future technological applications, including realisation of water filters and desalination membranes, water adsorption on graphitic sp-bonded carbon…
cond-mat.mtrl-sci2019
Small polarons and the Janus nature of
Ji Chen, Christopher Penschke, Ali Alavi +1
Polarons are ubiquitous in many semiconductors and have been linked with conductivity and optical response of materials for photovoltaics and heterogeneous catalysis, yet how surfa…