Concepedia

Designing an asymmetrical isomer to promote the LUMO energy level and molecular packing of a non-fullerene acceptor for polymer solar cells with 12.6% efficiency

Wei Gao, Qiaoshi An, Cheng Zhong, Zhenghui Luo, Ruijie Ming, Miao Zhang, Yang Zou, Feng Liu, Fujun Zhang, Chuluo Yang

Chemical Science · 2018 · 71 citations · 44 references

Open access

Abstract

and an unchanged FF compared with those of MeIC-based PSCs when blended with PBDB-T. This work reveals that asymmetrical isomerization is effective for PCE promotion.

References

44

Multiwfn: A multifunctional wavefunction analyzer

Tian Lu, Feiwu Chen · Journal of Computational Chemistry · 2011 · 43K citations

Natural Sciences, Chemistry, Visualization +15

Effect of the damping function in dispersion corrected density functional theory

Stefan Grimme, Stephan Ehrlich, Lars Goerigk · Journal of Computational Chemistry · 2011 · 27.1K citations

Natural Sciences, Chemistry, Physics +10

The ORCA program system

Frank Neese · Wiley Interdisciplinary Reviews Computational Molecular Science · 2011 · 13.1K citations

Natural Sciences, Chemistry, Physics +17

An Electron Acceptor Challenging Fullerenes for Efficient Polymer Solar Cells

Yuze Lin, Jiayu Wang, Zhiguo Zhang et al. · Advanced Materials · 2015 · 4.2K citations

Natural Sciences, Materials Engineering, Materials Science +17

Efficient, approximate and parallel Hartree–Fock and hybrid DFT calculations. A ‘chain-of-spheres’ algorithm for the Hartree–Fock exchange

Frank Neese, Frank Wennmohs, Andreas Hansen et al. · Chemical Physics · 2008 · 3K citations

Natural Sciences, Chemistry, Physics +12