Adsorption of a superoxo O2- species on the pure and Ca-doped Sr3Ru2O7(001) surface
نویسندگان
چکیده
منابع مشابه
a head parameter survey on mazandarani dialect and its effect(s) on learning english from ca perspective (on the basis of x-bar syntax)1
there has been a gradual shift of focus from the study of rule systems, which have increasingly been regarded as impoverished, … to the study of systems of principles, which appear to occupy a much more central position in determining the character and variety of possible human languages. there is a set of absolute universals, notions and principles existing in ug which do not vary from one ...
15 صفحه اولTheoretical insights into the adsorption behavior of CO molecules on the pure and Vn-doped BN nanotubes
Interaction of pure and Vn-doped (8, 0), (12, 0) and (16, 0) boron nitride nanotubes with CO molecules was studied using B3LYP/6-311++G(d) theoretical level. Substituting V instead of B atoms, increased the reactivity of nanotube. From the results, the complex stability depends on the direction and the number of the CO molecules interacted with the nanotube. In this work, the quantum...
متن کاملAdsorption of Metronidazole drug on the surface of nano fullerene C60 doped with Si, B and Al: A DFT study
In this research, the quantum mechanics calculations were carried out to elucidate the adsorption behavior of metronidazole drug on the surface of pristine as well as doped C60 fullerene with Si, B and Al using density functional theory (DFT) at B3LYP/6-31G(d,p) level. After optimization of the structures, various parameters such as HOMO and LUMO energies, gap energy, adsorption ener...
متن کاملOxygen adsorption onto pure and doped Al surfaces--the role of surface dopants.
Using density functional theory (DFT) with the PBE0 density functional we investigated the role of surface dopants in the molecular and dissociative adsorption of O2 onto Al clusters of types Al50, Al50Alad, Al50X and Al49X, where X represents a dopant atom of the following elements Si, Mg, Cu, Sc, Zr, and Ti. Each dopant atom was placed on the Al(111) surface as an adatom or as a substitutiona...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Surface Science
سال: 2019
ISSN: 0039-6028
DOI: 10.1016/j.susc.2018.10.005