ACS Applied Materials & Interfaces 8, 24983 (2016)
Layer-by-layer assembled films of perylene diimide- and squaraine-containing metal-organic framework-like materials: solar energy capture and directional energy transfer
Journal of Materials Chemistry A 3, 7710 (2015)
Improved hydrogen storage in Ca-decorated boron heterofullerenes: A theoretical study
Chemical Science 6, 885 (2015)
Computational design of molecules for an all-quinone redox flow battery
Journal of the American Chemical Society (2014)
High electrical conductivity in Ni3(2,3,6,7,10,11-hexaiminotriphenylene)2, a semiconducting metal-organic graphene analogue
Energy & Environ. Sci. 7, 698 (2014)
Lead candidates for high-performance organic photovoltaics from high-throughput quantum chemistry – the Harvard Clean Energy Project