A Caltech Library Service

Structure-property relations in amorphous carbon for photovoltaics

Risplendi, Francesca and Bernardi, Marco and Cicero, Giancarlo and Grossman, Jeffrey C. (2014) Structure-property relations in amorphous carbon for photovoltaics. Applied Physics Letters, 105 (4). Art. No. 043903. ISSN 0003-6951. doi:10.1063/1.4891498.

[img] PDF - Published Version
See Usage Policy.


Use this Persistent URL to link to this item:


Carbon is emerging as a material with great potential for photovoltaics (PV). However, the amorphous form (a-C) has not been studied in detail as a PV material, even though it holds similarities with amorphous Silicon (a-Si) that is widely employed in efficient solar cells. In this work, we correlate the structure, bonding, stoichiometry, and hydrogen content of a-C with properties linked to PV performance such as the electronic structure and optical absorption. We employ first-principles molecular dynamics and density functional theory calculations to generate and analyze a set of a-C structures with a range of densities and hydrogen concentrations. We demonstrate that optical and electronic properties of interest in PV can be widely tuned by varying the density and hydrogen content. For example, sunlight absorption in a-C films can significantly exceed that of a same thickness of a-Si for a range of densities and H contents in a-C. Our results highlight promising features of a-C as the active layer material of thin-film solar cells.

Item Type:Article
Related URLs:
URLURL TypeDescription
Bernardi, Marco0000-0001-7289-9666
Grossman, Jeffrey C.0000-0003-1281-2359
Additional Information:© 2014 AIP Publishing LLC. Received 5 May 2014; accepted 16 July 2014; published online 28 July 2014. The authors thank NERSC and XSEDE for providing computational resources. This work was partially supported by the Eni Solar Frontiers Program at MIT. F.R. and G.C. acknowledge the Politecnico di Torino-MIT MITOR project funded by the Fondazione Compagnia di San Paolo.
Funding AgencyGrant Number
Massachusetts Institute of Technology (MIT)UNSPECIFIED
Fondazione Compagnia di San PaoloUNSPECIFIED
Issue or Number:4
Record Number:CaltechAUTHORS:20150923-123623738
Persistent URL:
Official Citation:Structure-property relations in amorphous carbon for photovoltaics Risplendi, Francesca and Bernardi, Marco and Cicero, Giancarlo and Grossman, Jeffrey C., Applied Physics Letters, 105, 043903 (2014), DOI:
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:60440
Deposited By: Tony Diaz
Deposited On:23 Sep 2015 19:44
Last Modified:10 Nov 2021 22:34

Repository Staff Only: item control page