Computational screening of functionalized zinc porphyrins for dye sensitized solar cells

Efficient Computational Screening of Organic Polymer Photovoltaics

(2013) Ilana Y. Kanal et al.   Journal of Physical Chemistry Letters

Porphyrin-sensitized solar cells

(2012) Lu-Lin Li et al.   CHEMICAL SOCIETY REVIEWS

New cubic perovskites for one- and two-photon water splitting using the computational materials repository

(2012) Ivano E. Castelli et al.   Energy & Environmental Science

Modulation of energy levels by donor groups: an effective approach for optimizing the efficiency of zinc-porphyrin based solar cells

(2012) Bo Liu et al.   JOURNAL OF MATERIALS CHEMISTRY

Disulfide/Thiolate Based Redox Shuttle for Dye-Sensitized Solar Cells: An Impedance Spectroscopy Study

(2012) Xiaobao Xu et al.   Journal of Physical Chemistry C

How TiO2 crystallographic surfaces influence charge injection rates from a chemisorbed dye sensitiser

(2012) Natalia Martsinovich et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

A cobalt complex redox shuttle for dye-sensitized solar cells with high open-circuit potentials

(2012) Jun-Ho Yum et al.   Nature Communications

Accelerated computational discovery of high-performance materials for organic photovoltaics by means of cheminformatics

(2011) Roberto Olivares-Amaya et al.   Energy & Environmental Science

Computational screening of perovskite metal oxides for optimal solar light capture

(2011) Ivano E. Castelli et al.   Energy & Environmental Science

Computational Design and Selection of Optimal Organic Photovoltaic Materials

(2011) Noel M. O’Boyle et al.   Journal of Physical Chemistry C

The Harvard Clean Energy Project: Large-Scale Computational Screening and Design of Organic Photovoltaics on the World Community Grid

(2011) Johannes Hachmann et al.   Journal of Physical Chemistry Letters

Porphyrin-Sensitized Solar Cells with Cobalt (II/III)-Based Redox Electrolyte Exceed 12 Percent Efficiency

(2011) A. Yella et al.   SCIENCE

High-Throughput Combinatorial Database of Electronic Band Structures for Inorganic Scintillator Materials

(2011) Wahyu Setyawan et al.   ACS Combinatorial Science

Dye-Sensitized Solar Cells

(2010) Anders Hagfeldt et al.   CHEMICAL REVIEWS

Electronic structure calculations with GPAW: a real-space implementation of the projector augmented-wave method

(2010) J Enkovaara et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

An organic redox electrolyte to rival triiodide/iodide in dye-sensitized solar cells

(2010) Mingkui Wang et al.   Nature Chemistry

Improved performance of porphyrin-based dye sensitised solar cells by phosphinic acid surface treatment

(2009) Alessandra Allegrucci et al.   Energy & Environmental Science

Localized atomic basis set in the projector augmented wave method

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

Polarization-induced renormalization of molecular levels at metallic and semiconducting surfaces

(2009) J. M. Garcia-Lastra et al.   PHYSICAL REVIEW B

Δself-consistent field method to obtain potential energy surfaces of excited molecules on surfaces

(2008) Jeppe Gavnholt et al.   PHYSICAL REVIEW B