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viii CONTENTS U Ueq uik (r) v(r) VN Vee CUS Coordinatively unsaturated site, e.g. on the rutile (110) Electrode potential The reversible potential for a certain reaction Unit-cell periodicity vector The external potential The nuclear-nuclear repulsion energy The electron-electron interac- tion energy, also known as the Hartree energy try ve f f [ρ (r)] The effective potential (the sum of electron-nuclei and classical charge density in- teractions and the exchange- correlation potential) vext The external potential (the electron-nuclei interaction) vH The Hartree potential, the func- tional derivative of the classical charge density interaction vxc The functional derivative of Exc Z Atomic number AFM Atomic force microscopy AOM Angular overlap model BEP Brønsted-Evans-Polanyi BZ Brillouin zone CC Coupled-cluster CHE Computational hydrogen elec- trode EXX Evaluation of the exchange en- ergy exactly using the Hartree- Fock method on Kohn-Sham orbitals FF Force field GA Genetic algorithm GGA Generalized gradient approxi- mation GTO Gaussian-type orbital HER Hydrogen evolution reaction HF Hartree-Fock IC Ion chromatography IR The change in potential across an electrolytic cell due to elec- trolyte resistance (I × R) KS Kohn-Sham LCAO Linear combination of atomic orbitals LDA Local density approximation in CI Configuration interaction DFT ClER Chlorine evolution reaction ML Monolayer surface CV Cyclic voltammetry DFT Density functional theory DFTB Density-functional binding tight- DSA Dimensionally stable anode DSC Differential scanning calorime-PDF Image | Studies of Electrode Processes in Industrial Electrosynthesis
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