Tuning Cd adsorption behaviours on graphene by introducing defects: a first-principles study

Tuning Cd adsorption behaviours on graphene by introducing defects: a first-principles study
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通过引入缺陷来调节石墨烯上的镉吸附行为:第一性原理研究

DOI:
10.1080/10667857.2017.1304608
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发表时间:
2017-03
影响因子:
3.1
通讯作者:
Lin S.
Lin S.
中科院分区:
材料科学4区
文献类型:
--
作者:
Liao J.;Yang L.;Wang C. Z.;Lin S.

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摘要采用第一性原理计算方法研究了镉在石墨烯上的吸附行为。结果表明,Cd在原始和SW d上的吸附较弱
Abstract Adsorption of Cadmium (Cd) on pristine and defective graphenes, including Stone–Wales (SW) defect and single vacancy (SV) defect, was studied by first-principles calculations. It is found that Cd adatom is weakly adsorbed on the pristine and SW d
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