<i>Ab initio</i> study of H/O trapping and clustering on U/Al interface<xref rid="cpb_27_9_097303fn1" ref-type="fn">*</xref><fn id="cpb_27_9_097303fn1"><label>*</label><p>Project supported by Science Challenge Project of China (Grant No. TZ2016002) and the National Key R&D Program of China (Grant No. 2017YFB0702201).</p></fn>

Ab initio study of H/O trapping and clustering on U/Al interface**

Project supported by Science Challenge Project of China (Grant No. TZ2016002) and the National Key R&D Program of China (Grant No. 2017YFB0702201).

Ouyang Wenhong, Lai Wensheng^†, Zhang Zhengjun

Partial density of states (PDOS) of impurities and their nearest bulk atoms: H at (a) No. 0 and (b) No. 1 sites, O at (c) No. 0 and (d) No. 1 sites. A U vacancy has been introduced on the interface and only electron orbitals involved in the hybridization are shown here. Element types are marked on the upper right corner of subplots and orbital types near patterns.