کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
5349657 | 1503644 | 2014 | 5 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Coordination-resolved local bond relaxation, electron binding-energy shift, and Debye temperature of Ir solid skins
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موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
![عکس صفحه اول مقاله: Coordination-resolved local bond relaxation, electron binding-energy shift, and Debye temperature of Ir solid skins Coordination-resolved local bond relaxation, electron binding-energy shift, and Debye temperature of Ir solid skins](/preview/png/5349657.png)
چکیده انگلیسی
Numerical reproduction of the measured 4f7/2 energy shift of Ir(1Â 0Â 0), (1Â 1Â 1), and (2Â 1Â 0) solid skins turns out the following: (i) the 4f7/2 level of an isolated Ir atom shifts from 56.367Â eV to 60.332Â eV by 3.965Â eV upon bulk formation; (ii) the local energy density increases by up to 130% and the atomic cohesive energy decreases by 70% in the skin region compared with the bulk values. Numerical match to observation of the temperature dependent energy shift derives the Debye temperature that varies from 285.2Â K (Surface) to 315.2Â K (Bulk). We clarified that the shorter and stronger bonds between under-coordinated atoms cause local densification and quantum entrapment of electron binding energy, which perturbs the Hamiltonian and the core shifts in the skin region.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Applied Surface Science - Volume 320, 30 November 2014, Pages 509-513
Journal: Applied Surface Science - Volume 320, 30 November 2014, Pages 509-513
نویسندگان
Maolin Bo, Yan Wang, Yongli Huang, Xuexian Yang, Yezi Yang, Can Li, Chang Q. Sun,