Data for: Durability screening of Pt ternary alloy (111) surfaces for oxygen reduction reaction using Density Functional Theory
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资源简介:
Minimum and maximum surface Pt vacancy formation energy (E_svf(min) (eV), E_svf(max) (eV)), intrinsic surface segregation energy (ISS(eV)), and oxygen-induced surface segregation energy (OISS(eV)) of M and N with respect to PtxMyNz alloy surfaces.
M、N元素相对于PtxMyNz合金表面的表面Pt空位形成能最小值与最大值(E_svf(min),单位:电子伏特(eV);E_svf(max),单位:电子伏特(eV))、本征表面偏析能(ISS,单位:电子伏特(eV))以及氧诱导表面偏析能(OISS,单位:电子伏特(eV))
创建时间:
2020-01-24




