A Theoretical Study of the Interaction of Ammonia with Silicon Trimer

التفاصيل البيبلوغرافية
العنوان:	A Theoretical Study of the Interaction of Ammonia with Silicon Trimer
المؤلفون:	Ratcliff, L., Holme, T.
المصدر:	The Journal of Physical Chemistry - Part A; November 19, 1998, Vol. 102 Issue: 47 p9531-9536, 6p
مستخلص:	Theoretical calculations are reported for the interaction potential of Si3 + NH3. The existence of loosely bound physisorbed states separated by sizable barriers from more tightly bound states more akin to dissociative chemisorption is predicted. These findings correspond to experimental results on this system which suggest ammonia desorbs intact from small silicon clusters, a behavior expected for physisorbed species. Qualitative explanations using frontier molecular orbital theory help explain the differences between the interaction of ammonia with small clusters and bulk silicon.
قاعدة البيانات:	Supplemental Index

الوصف
تدمد:	10895639 15205215