[HTML][HTML] Absolute work function measurement by using photoelectron spectroscopy
Work function (WF) of a material is not only an intrinsic characteristic of bulk but also a
surface property. The measurement and control of WF have been of great concern in many …
surface property. The measurement and control of WF have been of great concern in many …
Multi-scale computational study of high-temperature corrosion and the design of corrosion-resistant alloys
Corrosion is a serious problem, which reduces the efficiency and lifespan of various
technologies, such as thermal power plants, aviation, nuclear reactors, etc. It starts from the …
technologies, such as thermal power plants, aviation, nuclear reactors, etc. It starts from the …
Halogenation effect on physicochemical properties of Ti3C2 MXenes
Halogenated MXenes have been experimentally demonstrated to be promising two-
dimensional materials for a wide range of applicability. However, their physicochemical …
dimensional materials for a wide range of applicability. However, their physicochemical …
[HTML][HTML] Computational experiments of metal corrosion studies: a review
This review article underscores the critical role of Density Functional Theory (DFT) in the
prediction of corrosion defect structures based on specific chemical compositions. By …
prediction of corrosion defect structures based on specific chemical compositions. By …
Theoretical understanding of water adsorption on stepped iron surfaces
Nanoscale zero-valent iron (nZVI) has attracted significant interest due to its high capability
in groundwater remediation. Understanding the interaction between water and nZVI is …
in groundwater remediation. Understanding the interaction between water and nZVI is …
The Role of steps on silver nanoparticles in electrocatalytic oxygen reduction
Hydrogen fuel cell technology is an essential component of a green economy. However, it is
limited in practicality and affordability by the oxygen reduction reaction (ORR). Nanoscale …
limited in practicality and affordability by the oxygen reduction reaction (ORR). Nanoscale …
Sulfidation impacts on the hydrophobicity of stepped iron surfaces
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 …
contaminated groundwater. Its lifetime is directly related to the hydrophobicity of nZVI. A …
[HTML][HTML] A theoretical investigation on sulfidated nanoscale zero valent iron for removal of cis-DCE and PCE
The organochlorine contaminants in wastewater can be degraded by using sulfidated
nanoscale zero-valent iron. However, the specific role of S dopants and the underlying …
nanoscale zero-valent iron. However, the specific role of S dopants and the underlying …
The impact of metal dopants on the properties of nZVI: a theoretical study
The substitution of Fe with metal dopants shows potential for enhancing the wastewater
remediation performance of nanoscale zero-valent iron (nZVI). However, the specific roles …
remediation performance of nanoscale zero-valent iron (nZVI). However, the specific roles …
Crystal facet-dependent product selectivity of CO2 reduction reaction on indium revealed by first-principles calculations
F Li, Q Wang, G Liu, W Lv, Z Zhou - Surface Science, 2023 - Elsevier
Electrochemical CO 2 reduction reaction (CO 2 RR) is a realistic way to achieve carbon
neutrality which is essential to mitigate climate change and energy shortage. By using …
neutrality which is essential to mitigate climate change and energy shortage. By using …