Infrared spectra of hydrogenated nanodiamonds by first-principles simulations

Physica E: Low-Dimensional Systems and Nanostructures

Volumn 41, Issue 8, 2009, Pages 1427-1432

  Zhuang, Chunqiang ^a   Jiang, Xue ^a   Zhao, Jijun ^a   Wen, Bin ^a   Jiang, Xin ^b  

^a DALIAN UNIVERSITY OF TECHNOLOGY   (China)

^b UNIVERSITY OF SIEGEN   (Germany)

Author keywords

First principles calculations; Infrared; Nanodiamond

Indexed keywords

FIRST-PRINCIPLES CALCULATIONS; FIRST-PRINCIPLES SIMULATIONS; HEAT OF FORMATION; HYDROGENATED NANODIAMONDS; INFRARED; INFRARED SPECTRUM; IR SPECTROSCOPY; NANO-DIAMONDS; NANODIAMOND; PREFERENTIAL GROWTH ORIENTATION; WAVE NUMBERS;

DENSITY FUNCTIONAL THEORY; DIAMONDS; HYDROGENATION; LITHIUM BATTERIES; MORPHOLOGY; SOLID STATE PHYSICS; SPECTRUM ANALYSIS; THERMOCHEMISTRY;

INFRARED SPECTROSCOPY;

EID: 67649227107     PISSN: 13869477     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.physe.2009.04.011     Document Type: Article

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