کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1883871 1043313 2006 4 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Studies of bromine modified single-walled carbon nanotubes using photoelectron spectroscopy and density-functional theory
موضوعات مرتبط
مهندسی و علوم پایه فیزیک و نجوم تشعشع
پیش نمایش صفحه اول مقاله
Studies of bromine modified single-walled carbon nanotubes using photoelectron spectroscopy and density-functional theory
چکیده انگلیسی

Many applications based on single-walled carbon nanotubes (SWNTs) require chemical modification of carbon nanotube to optimize the functionalities of the device. In this contribution we discuss the properties of SWNTs immersed in a hydrobromic acid (HBr) solution. Changes of atomic and electronic structures of bromine modified SWNTs were investigated using photoelectron spectroscopy (PES). Spectra of SWNTs before and after immersion in the HBr solution exhibit different features. To understand the mechanism of interaction between SWNTs and bromine, we performed density-functional theory calculations to reveal the structural changes, adsorption energy and chemical bonding information of SWNTs interacting with bromine. In addition, based on the Gelius model, from the molecular orbitals (MOs), we calculated ultraviolet photoelectron spectra (UPS) of SWNTs with and without functionalizing and compared them with the experiment. The present study is a first step in the understanding of the functionalization mechanism of carbon nanotubes.

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Radiation Physics and Chemistry - Volume 75, Issue 11, November 2006, Pages 1939–1942
نویسندگان
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