Impact of packing arrangement on the optical properties of C60 cluster aggregates

Wannier-Like Delocalized Exciton Generation in C60 Fullerene Clusters: A Density Functional Theory Study

(2020) Hajime Kobayashi et al.   Journal of Physical Chemistry C

Electronic Structure of Multicomponent Organic Molecular Materials: Evaluation of Range-Separated Hybrid Functionals

(2020) Eunkyung Cho et al.   Journal of Chemical Theory and Computation

Electrically Driven Hot-Carrier Generation and Above-Threshold Light Emission in Plasmonic Tunnel Junctions

(2020) Longji Cui et al.   NANO LETTERS

Aggregation Controlled Charge Generation in Fullerene Based Bulk Heterojunction Polymer Solar Cells: Effect of Additive

(2020) Washat Ware et al.   Polymers

Modeling of Actual-Size Organic Electronic Devices from Efficient Molecular-Scale Simulations

(2018) Haoyuan Li et al.   ADVANCED FUNCTIONAL MATERIALS

Increased Exciton Delocalization of Polymer upon Blending with Fullerene

(2018) Bhoj Gautam et al.   ADVANCED MATERIALS

Every Atom Counts: Elucidating the Fundamental Impact of Structural Change in Conjugated Polymers for Organic Photovoltaics

(2018) Chi Kin Lo et al.   CHEMISTRY OF MATERIALS

Bistetracene Thin Film Polymorphic Control to Unravel the Effect of Molecular Packing on Charge Transport

(2018) Edmund K. Burnett et al.   Advanced Materials Interfaces

Macroscopic dielectric function within time-dependent density functional theory—Real time evolution versus the Casida approach

(2017) Tobias Sander et al.   JOURNAL OF CHEMICAL PHYSICS

Kohn–Sham Decomposition in Real-Time Time-Dependent Density-Functional Theory: An Efficient Tool for Analyzing Plasmonic Excitations

(2017) Tuomas P. Rossi et al.   Journal of Chemical Theory and Computation

Impact of the Nature of the Side-Chains on the Polymer-Fullerene Packing in the Mixed Regions of Bulk Heterojunction Solar Cells

(2016) Tonghui Wang et al.   ADVANCED FUNCTIONAL MATERIALS

Synthesis, Structure, and Properties of the Fullerene C60Salt of Crystal Violet, (CV+)(C60.−)⋅0.5 C6H4Cl2, which Contained Closely Packed Zigzagged C60.−Chains

(2016) Dmitri V. Konarev et al.   Chemistry-An Asian Journal

The particle-hole map: Formal derivation and numerical implementation

(2016) Yonghui Li et al.   JOURNAL OF CHEMICAL PHYSICS

Role of Intrinsic Photogeneration in Single Layer and Bilayer Solar Cells with C60 and PCBM

(2016) Tobias Hahn et al.   Journal of Physical Chemistry C

Transition matrices and orbitals from reduced density matrix theory

(2015) Thibaud Etienne   JOURNAL OF CHEMICAL PHYSICS

Solvated fullerenes, a new class of carbon materials suitable for high-pressure studies: A review

(2015) Lin Wang   JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS

Mesoscopic Features of Charge Generation in Organic Semiconductors

(2014) Brett M. Savoie et al.   ACCOUNTS OF CHEMICAL RESEARCH

Increased Open-Circuit Voltage of Organic Solar Cells by Reduced Donor-Acceptor Interface Area

(2014) Koen Vandewal et al.   ADVANCED MATERIALS

New tools for the systematic analysis and visualization of electronic excitations. I. Formalism

(2014) Felix Plasser et al.   JOURNAL OF CHEMICAL PHYSICS

25th Anniversary Article: Rise to Power - OPV-Based Solar Parks

(2013) Frederik C. Krebs et al.   ADVANCED MATERIALS

The Structure and Dynamics of Molecular Excitons

(2013) Christopher J. Bardeen   Annual Review of Physical Chemistry

The Impact of Molecular Orientation on the Photovoltaic Properties of a Phthalocyanine/Fullerene Heterojunction

(2012) Barry P. Rand et al.   ADVANCED FUNCTIONAL MATERIALS

Range-Separated Exchange Functionals with Slater-Type Functions

(2012) Michael Seth et al.   Journal of Chemical Theory and Computation

The Role of Driving Energy and Delocalized States for Charge Separation in Organic Semiconductors

(2012) A. A. Bakulin et al.   SCIENCE

Photoinduced Carrier Generation and Decay Dynamics in Intercalated and Non-intercalated Polymer:Fullerene Bulk Heterojunctions

(2011) William L. Rance et al.   ACS Nano

The NumPy Array: A Structure for Efficient Numerical Computation

(2011) Stéfan van der Walt et al.   COMPUTING IN SCIENCE & ENGINEERING

VESTA 3for three-dimensional visualization of crystal, volumetric and morphology data

(2011) Koichi Momma et al.   JOURNAL OF APPLIED CRYSTALLOGRAPHY

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

(2010) Stefan Grimme et al.   JOURNAL OF CHEMICAL PHYSICS

Photoinduced Charge Carrier Generation in Blends of Poly(Thienothiophene) Derivatives and [6,6]-Phenyl-C61-butyric Acid Methyl Ester: Phase Segregation versus Intercalation

(2010) Tom J. Savenije et al.   Journal of Physical Chemistry C

First-Principles Study and Model of Dielectric Functions of Silver Nanoparticles

(2010) Yi He et al.   Journal of Physical Chemistry C

Molecular Understanding of Organic Solar Cells: The Challenges

(2009) Jean-Luc Brédas et al.   ACCOUNTS OF CHEMICAL RESEARCH

Synthesis of Conjugated Polymers for Organic Solar Cell Applications

(2009) Yen-Ju Cheng et al.   CHEMICAL REVIEWS

Time-dependent density-functional theory for molecules and molecular solids

(2009) Mark E. Casida   JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

Localized atomic basis set in the projector augmented wave method

(2009) A. H. Larsen et al.   PHYSICAL REVIEW B

Time-dependent density-functional theory in the projector augmented-wave method

(2008) Michael Walter et al.   JOURNAL OF CHEMICAL PHYSICS

EfficientO(N2)approach to solve the Bethe-Salpeter equation for excitonic bound states

(2008) F. Fuchs et al.   PHYSICAL REVIEW B