Revealing generation, migration, and dissociation of electron-hole pairs and current emergence in an organic photovoltaic cell

DFTB+, a software package for efficient approximate density functional theory based atomistic simulations

(2020) B. Hourahine et al.   JOURNAL OF CHEMICAL PHYSICS

An Energy-Gap Law for Photocurrent Generation in Fullerene-based Organic Solar Cells – The Case of Low-Donor Content-Blends

(2019) Elisa Collado-Fregoso et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Achieving over 16% efficiency for single-junction organic solar cells

(2019) Baobing Fan et al.   Science China-Chemistry

Fundamental Limit to Scaling Si Field-Effect Transistors Due to Source-to-Drain Direct Tunneling

(2019) Stanislav Markov et al.   IEEE TRANSACTIONS ON ELECTRON DEVICES

Coherent Charge Transfer Exciton Formation in Regioregular P3HT: A Quantum-Dynamical Study

(2019) Wjatscheslaw Popp et al.   Journal of Physical Chemistry Letters

Over 16% efficiency organic photovoltaic cells enabled by a chlorinated acceptor with increased open-circuit voltages

(2019) Yong Cui et al.   Nature Communications

Coherent Real-Space Charge Transport Across a Donor–Acceptor Interface Mediated by Vibronic Couplings

(2019) Ziyao Xu et al.   NANO LETTERS

Time-Dependent Density Functional Theory for Open Systems and Its Applications

(2018) Shuguang Chen et al.   ACCOUNTS OF CHEMICAL RESEARCH

Synthesis and characterization of poly(3-hexylthiophene): improvement of regioregularity and energy band gap

(2018) Muhammad Azhar Ansari et al.   RSC Advances

Ultrafast relaxation dynamics in a polymer: fullerene blend for organic photovoltaics probed by two-dimensional electronic spectroscopy

(2018) Antonietta De Sio et al.   EUROPEAN PHYSICAL JOURNAL B

Solar cell efficiency tables (Version 53)

(2018) Martin A. Green et al.   PROGRESS IN PHOTOVOLTAICS

Assessing the nature of the charge-transfer electronic states in organic solar cells

(2018) Xian-Kai Chen et al.   Nature Communications

Can Molecular Quantum Interference Effect Transistors Survive Vibration?

(2017) Shuguang Chen et al.   Journal of Physical Chemistry Letters

Impact of charge-transfer excitons in regioregular polythiophene on the charge separation at polythiophene-fullerene heterojunctions

(2017) M Polkehn et al.   JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS

Visualisation of charge-transfer excitations in donor–acceptor molecules using the particle–hole map: a case study

(2016) Yonghui Li et al.   MOLECULAR PHYSICS

Quantum mechanical modeling the emission pattern and polarization of nanoscale light emitting diodes

(2016) Rulin Wang et al.   Nanoscale

Tracking the coherent generation of polaron pairs in conjugated polymers

(2016) Antonietta De Sio et al.   Nature Communications

Implementation and benchmark of a long-range corrected functional in the density functional based tight-binding method

(2015) V. Lutsker et al.   JOURNAL OF CHEMICAL PHYSICS

Coherent ultrafast charge transfer in an organic photovoltaic blend

(2014) S. M. Falke et al.   SCIENCE

Reducing Exciton Binding Energy by Increasing Thin Film Permittivity: An Effective Approach To Enhance Exciton Separation Efficiency in Organic Solar Cells

(2013) Sibel Y. Leblebici et al.   ACS Applied Materials & Interfaces

Time-dependent density functional theory quantum transport simulation in non-orthogonal basis

(2013) Yan Ho Kwok et al.   JOURNAL OF CHEMICAL PHYSICS

Ultrafast Charge Separation in Organic Photovoltaics Enhanced by Charge Delocalization and Vibronically Hot Exciton Dissociation

(2013) Hiroyuki Tamura et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

First-principles time-dependent quantum transport theory

(2013) Yu Zhang et al.   PHYSICAL REVIEW B

Ultrafast Long-Range Charge Separation in Organic Semiconductor Photovoltaic Diodes

(2013) S. Gelinas et al.   SCIENCE

Ultrafast Energy Transfer in Ultrathin Organic Donor/Acceptor Blend

(2013) Ajay Ram Srimath Kandada et al.   Scientific Reports

Time-dependent transition density matrix

(2011) Yonghui Li et al.   CHEMICAL PHYSICS

Absolute Rate of Charge Separation and Recombination in a Molecular Model of the P3HT/PCBM Interface

(2011) Tao Liu et al.   Journal of Physical Chemistry C

Non-equilibrium Green's functions in density functional tight binding: method and applications

(2008) A Pecchia et al.   NEW JOURNAL OF PHYSICS