A systematic DFT investigation has been conducted to explore the structures and electronic properties of the metal-carbide endofullerenes M2C2 @ C78 (M = Ti, Zr, Hf) at the PBE/DNP level of theory. The theoretical calculations predicted the following: (i) this series of endofullerenes have the valence states [M4+]2C2(2-) @ C78(6-) (ii) the structure of the [M2C2](6+) cluster encapsulated in the...

In recent years, displays and lighting require color temperature (CT) conversion function because observers have different preferences. This paper proposes effective methods to determine the optimal converting point of CT conversion for display and lighting application. For display application, the concepts of center of gravity and isotemperature line are applied to determine the optimal conver...

Based on the different oxidation potentials of endohedral fullerenes Sc3N@C80 Ih and D5h and Sc3N@C78, an efficient and useful method that avoids HPLC has been developed for their separation. Selective chemical oxidation of the Sc3N@D5h-C80 isomer and Sc3N@C78 by using an acetylferrocenium salt [Fe(COCH3C5H4)Cp](+) followed by column chromatographic separation and reduction with CH3SNa resulted...

Article history: Received 10 November 2010 Available online 14 April 2011 JEL classification: C78

Article history: Received 15 June 2015 Available online 21 March 2017 JEL classification: C78 D40

Article history: Received 19 May 2009 Available online 2 February 2011 JEL classification: C78

Article history: Received 19 February 2007 Available online 30 October 2009 JEL classification: C78 D70 D78

Article history: Received 20 June 2011 Available online 28 November 2013 JEL classification: C78 D43 L13