کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1812545 | 1025618 | 2010 | 6 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Geometrical structures and probable dissociation channels of CrPm+ (m=2, 4, 6, 8) clusters
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
فیزیک و نجوم
فیزیک ماده چگال
پیش نمایش صفحه اول مقاله
![عکس صفحه اول مقاله: Geometrical structures and probable dissociation channels of CrPm+ (m=2, 4, 6, 8) clusters Geometrical structures and probable dissociation channels of CrPm+ (m=2, 4, 6, 8) clusters](/preview/png/1812545.png)
چکیده انگلیسی
A density functional theory study on the geometrical structures and probable dissociation channels of CrPm+ (m=2, 4, 6, 8) clusters has been performed. Our results reveal that the tetrahedral P4 structure and linear P2 structure are two stable units in CrPm+ clusters relatively. The lowest energy structures of CrPm+ clusters are constructed by bonding Cr with P4 unit or P2 unit. The bond between Cr and P4 unit or P2 unit is much weaker than the bond between P atoms in P4 or P2 unit. The most probable dissociation channel for CrP8+ cluster is the detachment of P4 unit or P2 unit. Our conclusions are consistent with the previous laser photodissociation experiments.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Physica B: Condensed Matter - Volume 405, Issue 16, 15 August 2010, Pages 3328–3333
Journal: Physica B: Condensed Matter - Volume 405, Issue 16, 15 August 2010, Pages 3328–3333
نویسندگان
Xiangjun Kuang, Xinqiang Wang, Gaobin Liu,