Applying computational nanomaterials design to the reactive ion etching of NiO thin films—a preliminary investigation

Abstract

We have developed and proposed a model for reactive ion etching (RIE) process design of nickel oxide thin films using a computational materials design based on ab initio calculations. On etching NiO, we found that it was necessary to have hydrogen-based reactive gases in the initial state in order to enhance RIE (e.g. NH(3), CH(4)). We strongly suggest the use of CH(4) or any H-based gas source other than CHF(3) to enhance RIE process.

Initial stages of Cu3Au(111) oxidation: oxygen induced Cu segregation and the protective Au layer profile

“…We expect that what we observe is a general property of multicomponent systems for which specific segregation of components would be observed. These could then be used for the design of materials processing procedures, [43][44][45][46][47] design of selfregenerating catalysts, 48 self-protection against corrosion, 9,10 and other such applications.…”

Halogen-Assisted Copper Atom Abstraction: A Computational Perspective

“…Despite the vast amount of experimental studies on the area of surface etching, available theoretical studies are rather limited. In this particular topic of our group's studies on the etching of solid surfaces, [10][11][12] abstraction reactions of copper using halogens in their atomic forms are examined primarily as benchmark systems of more widely used halogen-based agents. More specifically, we examine the probability of abstracting a single Cu atom from a surface, and provide a comparison among the effectiveness of different halogens for performing this role.…”

C-doped ZnO nanowires: Electronic structures, magnetic properties, and a possible spintronic device

“…Strong magnetic moments in different oxide bulk materials induced by the doping of either magnetic or nonmagnetic elements have been reported both theoretically and experimentally in literature. [9][10][11][12][13] Quite recently, the doping-induced a) Electronic mail: phyzc@nus.edu.sg. magnetism in quasi-1d semiconducting nanowires (SC-NWs) attracted considerable attention due to the great potential of applications of SC-NWs for the next generation of electronic or spintronic devices.…”