As a much-enriched supplement to the previous review paper entitled the “Effective work
functions for ionic and electronic emissions from mono-and polycrystalline surfaces”[Prog …

Corrosion of engineering metals and alloys poses a threat to the safety and reliability of
engineering structures. In this work, an environmentally-friendly hydrophobic coating was …

Trends in atomic multilayer relaxations, surface energy, electronic work function, and
magnetic structure of several low-Miller-index surfaces of iron are investigated employing …

Electronic, magnetic and structural properties of atomic oxygen adsorbed in on-surface and
subsurface sites at the two most densely packed iron surfaces are investigated using density …

We report first principles density functional theory (DFT) results of H2S and HS adsorption
and dissociation on the Fe (110) surface. We investigate the site preference of H2S, HS, and …

Sulfur-containing lubricant additives can chemically react with metal surfaces under extreme
conditions, such as high temperature and high pressure, forming protective films on the …

Nanoscale zero‐valent iron (nZVI) has demonstrated high potential for the remediation of
contaminated groundwater. Its lifetime is directly related to the hydrophobicity of nZVI. A …

Aggregation, molecular adsorption, and dissociation of water on the Fe (100) surface were
investigated using spin-polarized density functional calculations. The preferential sites for …

Oil and gas pipeline transportation media often contain acidic media, such as H 2 S and CO
2. The corrosion behavior of oil and gas equipment in wet H 2 S environment affects its …

Sulfur and phosphorus are key elements for the functionality of lubricant additives used in
extreme pressure applications, such as synchronizer systems in cars. To understand their …