Acta Physica Sinica, Volume. 68, Issue 21, 217103-1(2019)
Figures & Tables(8)
Fig. 2. Projected local density of states from Fe on clean Fe surface and a CO molecular in vacuum (a) and with a CO adsorbed surface (b).CO, Fe(110)面及其top位吸附前后分波态密度图 (a)吸附前; (b)吸附后
Fig. 3. Projected local density of states from Fe on clean Fe surface and a H atom in vacuum (a) and with a H adsorbed surface (b).H与Fe(110)面tf位吸附前后分波态密度图 (a)吸附前; (b)吸附后
Fig. 4. Potential energy variations of CO and H2 moving towards Fe(110). CO与H2吸附过程中的势能变化
Fig. 5. Relationship between adsorption energy of CO and H2 and strain. CO吸附能、H2吸附能和应变之间的关系
Fig. 6. Relationship between strain and the difference of CO and H2 adsorption energy. H2和CO吸附能的差与应变之间的关系
Fig. 7. Relationship between CO pressure and coverage of HCO的分压与
Table 1.
Adsorption energies of CO and H2 on high symmetry sites of Fe(110).
CO与H2在Fe(110)表面不同位置的吸附能(eV)
View tableView in ArticleTable 1.
Adsorption energies of CO and H2 on high symmetry sites of Fe(110).
CO与H2在Fe(110)表面不同位置的吸附能(eV)
吸附物 top sb lb tf CO –1.89 –1.64 –1.82 –1.83 CO[ 31 ] (PBE)–1.88 –1.63 –1.80 — H2 –0.47 –0.82 –1.04 –1.33
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Shou-Ying Li, Wei-Min Zhao, Jian-Hua Qiao, Yong Wang.
Paper Information
Received: May. 3, 2019
Accepted: --
Published Online: Sep. 17, 2020
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