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List of symbols and abbreviations E Energy or electrode potential e The charge of an electron E0 The ground-state energy EB Electron binding energy in XPS Exc[ρ(r)] The exchange-correlation functional (the sum of the two correction terms ∆T [ρ (r)] and kB ∆Gr εxc k ri Ψ ψi (r) ρ (r) τ (r) ψ ̃ n ( r ) p ̃ai b The Boltzmann constant The reaction free energy The per-particle exchange- correlation energy density of a system The k-vector The position of a particle, (x,y,z) The wave function A one-particle Kohn-Sham or- bital The total electronic density at position r The gradient in the kinetic en- ergy density A pseudo wave function A projector function in the PAW method Tafel slope F [ρ (r)] H He hKS i I j me mk N ∗ qi rab S T t Ti ∆Vee [ρ (r)]) A functional of the electronic density The atomic Hamiltonian The electronic Hamiltonian The one-electron Kohn-Sham Hamiltonian Electrical current Current density, current per area The mass of the electron The mass of atomic nucleus k The total number of electrons in a system Electrochemically active sur- face area The charge of an ion i The distance between particles a and b Entropy Temperature Time Kinetic energy of electron i vii qPDF Image | Studies of Electrode Processes in Industrial Electrosynthesis
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