Boron-Doped C24 Fullerenes for Alkyl Functionalization or Potential Polymerization
نویسندگان
چکیده
منابع مشابه
Neutral and charged boron-doped fullerenes for CO2 adsorption
Recently, the capture and storage of CO2 have attracted research interest as a strategy to reduce the global emissions of greenhouse gases. It is crucial to find suitable materials to achieve an efficient CO2 capture. Here we report our study of CO2 adsorption on boron-doped C60 fullerene in the neutral state and in the 1e (-)-charged state. We use first principle density functional calculation...
متن کاملFunctionalization of boron-doped nanocrystalline diamond with N3 dye molecules.
N3 dye molecules [cis-bis(isothiocyanato)bis(2,2'-bipyridyl-4,4'-dicarboxylato)ruthenium(II)] are covalently attached to boron-doped nanocrystalline diamond (B:NCD) thin films through a combination of coupling chemistries, i.e., diazonium, Suzuki, and EDC-NHS. X-ray and ultraviolet photoelectron spectroscopy and near-edge X-ray absorption fine structure spectroscopy are used to verify the coval...
متن کاملBoron aggregation in the ground states of boron-carbon fullerenes
Stephan Mohr,1 Pascal Pochet,2,* Maximilian Amsler,1 Bastian Schaefer,1 Ali Sadeghi,1 Luigi Genovese,2 and Stefan Goedecker1,† 1Institut für Physik, Universität Basel, Klingelbergstrasse 82, 4056 Basel, Switzerland 2Laboratoire de Simulation Atomistique (L_Sim), SP2M, UMR-E CEA/UJF-Grenoble 1, INAC, Grenoble F-38054, France (Received 14 May 2013; revised manuscript received 17 December 2013; pu...
متن کاملElectronic properties of doped fullerenes
The most abundant fullerene molecule, C60, has just the right combination of size, chemical stability, and activity to serve as the building block for a large variety of solids with fascinating properties. After a short overview of the related carbon compounds, first the structures of the C60 molecule and the pure crystalline C60 are summarized. Experimental and theoretical works on the vibrati...
متن کاملSelecting boron fullerenes by cage-doping mechanisms.
So far, no boron fullerenes were synthesized: more compact sp(3)-bonded clusters are energetically preferred. To circumvent this, metallic clusters have been suggested by Pochet et al. [Phys. Rev. B 83, 081403(R) (2011)] as "seeds" for a possible synthesis which would topologically protect the sp(2) sector of the configuration space. In this paper, we identify a basic pentagonal unit which allo...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: ACS Omega
سال: 2018
ISSN: 2470-1343,2470-1343
DOI: 10.1021/acsomega.7b01767