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(LUMO) and HOMO electron configuration are calculated.Else,the interactional potential of atoms in Al12Pb clusters is calculated.The result is proven that the binding energy of the Al12Pb cluster with the C5v symmetry is lower than that of the Al12Pb cluster with the Ih symmetry and its ...
As a two-dimensional material with unique electronic properties, graphene is anticipated to be a key element in novel sensing platforms1. Three main attributes of graphene make it attractive for such applications: (i) a surface area of 2600 m2·g−1, thereby providing a large platform for...
Spin-Flip and Element-Sensitive Electron Scattering in theBiAg2Surface Alloy Heavy metal surface alloys represent model systems to study the correlation between electron scattering, spin-orbit interaction, and atomic structure. Here... S Schirone,E Krasovskii,G Bihlmayer,... - 《Physical Review...
The binaryT5M3compounds, whereTis a transition or rare-earth metal andMa post-transition metal or ametalloidelement, are interesting solids from both application and fundamentalphysicspoint of views[1]. This crystal family contains three distinct structural symmetries: tetragonal Cr5B3-type (I4/mcm,...
(PCET) steps. The Gibbs free energy change (ΔG) was calculated by using the standard hydrogen electrode (SHE) model70,71, which used one-half of the chemical potential of hydrogen as the chemical potential of the proton-electron pair. According to this method70,71, theΔGvalue was ...
Silicon Element | Uses & Properties7:45 Carbon Definition, Function & Importance5:04 Germanium on the Periodic Table | Definition, Uses & Properties Ch 15.Group 15 of the Periodic Table of... Ch 16.Group 16 of the Periodic Table of... ...
The element compositions of the resulting Sn-Pb perovskite film based on L-NiOx were analyzed by XPS (Fig. S2). The atomic percentages of Sn and Pb are 8.53% and 5.76% (Table S1), respectively, corresponding to an atomic ratio of 6:4, which agrees well with that of the starting ...
(PSCs) to achieve a precise model. The solution which has been employed is based on the finite element method (FEM). First, the periodically light trapping (LT) structure has been replaced with a planar structure. Due to that, the power conversion efficiency (PCE) of PSC was obtained at...
For a given cluster of AxBy, its formation energy is defined by: Ef (AxBy) 5 E(AxBy) – xE(A) – yE(B), where E(AxBy) is the energy of AxBy cluster, E(A) or E(B) is the energy per atom of the constituent element A or B in the standard states, x or y is the ...