Progress in the experimental and computational methods of work function evaluation of materials: A review

Characterization of adsorption sites on IrO2via temperature programmed O2 desorption simulations

“…The temperature-programmed desorption (TPD) experiment is one of the most common methods to monitor surface processes under vacuum. 8,9 By performing TPD, we gain information about binding energies and reaction pathways on catalytic surfaces. 10–12…”

“…The temperature-programmed desorption (TPD) experiment is one of the most common methods to monitor surface processes under vacuum. 8,9 By performing TPD, we gain information about binding energies and reaction pathways on catalytic surfaces. [10][11][12] Interpreting the TPD profiles and extracting accurate information about the kinetics of desorption is not straightforward; therefore, there is interest in finding simple and precise methods to obtain information from TPD profiles.…”

Temperature-dependent work function, thermionic emission and bulk modulus of TiC: a study on the identification of free valence electrons and localized valence electrons and their roles played in carbides

“…The work function, as a fundamental physical property of materials, represents the minimum energy required to overcome the attractive electrostatic force exerted by the image charge as an electron moving from the inside of a material to the outside of the material surface. 1 To date, the fundamental, measurement, calculation, engineering, and application of the work function have received considerable attention, 2,3 due to the crucial role played by the work function in the applications of catalysis, 4,5 electrochemistry, 6 corrosion, 7 microelectronics, 8 solid mechanics, 1,9,10 electron sources for scientific instruments, 11 and thermionic energy converters. 12 In order to gain an in-depth understanding of work function, various theoretical methods have been developed, such as the stabilized jellium model (SJM), 13 the metallic plasma model (MPM), 14 the density functional theory (DFT) 15 and the Green's function method, 16 to calculate the work functions of elemental metals due to the relatively simple metallic bonds formed in these materials.…”

“…The work function, as a fundamental physical property of materials, represents the minimum energy required to overcome the attractive electrostatic force exerted by the image charge as an electron moving from the inside of a material to the outside of the material surface. 1 To date, the fundamental, measurement, calculation, engineering, and application of the work function have received considerable attention, 2,3 due to the crucial role played by the work function in the applications of catalysis, 4,5 electrochemistry, 6 corrosion, 7 microelectronics, 8 solid mechanics, 1,9,10 electron sources for scientific instruments, 11 and thermionic energy converters. 12…”

Suppression of Secondary Electron Emission from Nickel Surface by Graphene Composites Based on First-Principles Method

“…In addition, surface modification can affect the work function [ 34 , 35 ] which, in turn, affects its SEY. Since the work function can be easily calculated for different surface conditions [ 36 , 37 ], a correlation between the work function and the maximum SEY will be useful in finding new materials and structures with low SEY.…”