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

Olawole, C. Olukunle and De, Dilip Kumar and Olawole, O. F. and Lamba, R. and Joel, E. S. and Oyedepo, S.O. and Ajayi, A. A. and Adegbite, O. A. and Ezema, F. I. and Naghdi, S. and Olawole, Tolulope Dorcas and Obembe, Olawole O. and Oguniran, K.O. (2022) Progress in the experimental and computational methods of work function evaluation of materials: A review. Heliyon. ISSN 2405-8440

PDF Download (758kB)

Abstract

The work function, which determines the behaviour of electrons in a material, remains a crucial factor in surface science to understand the corrosion rates and interfacial engineering in making photosensitive and electron-emitting devices. The present article reviews the various experimental methods and theoretical models employed for work function measurement along with their merits and demerits are discussed. Reports from the existing methods of work function measurements that Kelvin probe force microscopy (KPFM) is the most suitable measurement technique over other experimental methods. It has been observed from the literature that the computational methods that are capable of predicting the work functions of different metals have a higher computational cost. However, the stabilized Jellium model (SJM) has the potential to predict the work function of transition metals, simple metals, rare-earth metals and inner transition metals. The metallic plasma model (MPM) can predict polycrystalline metals, while the density functional theory (DFT) is a versatile tool for predicting the lowest and highest work function of the material with higher computational cost. The high-throughput density functional theory and machine learning (HTDFTML) tools are suitable for predicting the lowest and highest work functions of extreme material surfaces with cheaper computational cost. The combined Bayesian machine learning and first principle (CBMLFP) is suitable for predicting the lowest and highest work functions of the materials with a very low computational cost. Conclusively, HTDFTML and CBMLFP should be used to explore the work functions and surface energy in complex materials.

Item Type:	Article
Uncontrolled Keywords:	Work function Energy Model Material Electron Metal DFT
Subjects:	Q Science > QC Physics Q Science > QD Chemistry Q Science > QH Natural history > QH301 Biology T Technology > TJ Mechanical engineering and machinery T Technology > TK Electrical engineering. Electronics Nuclear engineering
Divisions:	Faculty of Engineering, Science and Mathematics > School of Chemistry Faculty of Engineering, Science and Mathematics > School of Electronics and Computer Science Faculty of Engineering, Science and Mathematics > School of Physics Faculty of Medicine, Health and Life Sciences > School of Biological Sciences
Depositing User:	nwokealisi
Date Deposited:	16 Mar 2023 14:43
Last Modified:	16 Mar 2023 14:43
URI:	http://eprints.covenantuniversity.edu.ng/id/eprint/16705

Actions (login required)

View Item