scholarly journals Vibronic structure of photosynthetic pigments probed by polarized two-dimensional electronic spectroscopy andab initiocalculations

2019 ◽  
Vol 10 (35) ◽  
pp. 8143-8153 ◽  
Author(s):  
Yin Song ◽  
Alexander Schubert ◽  
Elizabeth Maret ◽  
Ryan K. Burdick ◽  
Barry D. Dunietz ◽  
...  
Keyword(s):  
Photosynthetic Pigments ◽  
State Of The Art ◽  
Electronic Spectroscopy ◽  
Two Dimensional ◽  
Vibronic Structure ◽  
Tddft Calculations ◽  
Photoexcited Dynamics

Using polarized 2D spectroscopy and state-of-the-art TDDFT calculations to uncover the vibronic structure of primary photosynthetic pigments and its effect on ultrafast photoexcited dynamics.

Resolving molecular vibronic structure using high-sensitivity two-dimensional electronic spectroscopy

2015 ◽  
Vol 143 (16) ◽  
pp. 164203 ◽  
Author(s):  
Laurie A. Bizimana ◽  
Johanna Brazard ◽  
William P. Carbery ◽  
Tobias Gellen ◽  
Daniel B. Turner
Keyword(s):  
Electronic Spectroscopy ◽  
High Sensitivity ◽  
Two Dimensional ◽  
Vibronic Structure

First-Principles Evaluation of the Potential of Borophene as a Monolayer Transparent Conductor

2017 ◽  
Author(s):  
Lyudmyla Adamska ◽  
Sridhar Sadasivam ◽  
Jonathan J. Foley ◽  
Pierre Darancet ◽  
Sahar Sharifzadeh
Keyword(s):  
First Principles ◽  
Density Functional ◽  
State Of The Art ◽  
Transparent Electrode ◽  
Visible Range ◽  
Two Dimensional ◽  
Transparent Conductor ◽  
Many Body ◽  
Functional Theory ◽  
Many Body Perturbation Theory

Two-dimensional boron is promising as a tunable monolayer metal for nano-optoelectronics. We study the optoelectronic properties of two likely allotropes of two-dimensional boron using first-principles density functional theory and many-body perturbation theory. We find that both systems are anisotropic metals, with strong energy- and thickness-dependent optical transparency and a weak (<1%) absorbance in the visible range. Additionally, using state-of-the-art methods for the description of the electron-phonon and electron-electron interactions, we show that the electrical conductivity is limited by electron-phonon interactions. Our results indicate that both structures are suitable as a transparent electrode.

State-of-the-Art of Modeling Surface Water Impoundments

1982 ◽  
Vol 14 (1-2) ◽  
pp. 241-261 ◽  
Author(s):  
P A Krenkel ◽  
R H French
Keyword(s):  
Water Quality ◽  
Surface Water ◽  
State Of The Art ◽  
Rate Coefficients ◽  
Two Dimensional ◽  
One Dimensional ◽  
Integral Energy ◽  
Range Of Values ◽  
Dimensional Integral ◽  
Water Impoundment

The state-of-the-art of surface water impoundment modeling is examined from the viewpoints of both hydrodynamics and water quality. In the area of hydrodynamics current one dimensional integral energy and two dimensional models are discussed. In the area of water quality, the formulations used for various parameters are presented with a range of values for the associated rate coefficients.

scholarly journals Exploring size and state dynamics in CdSe quantum dots using two-dimensional electronic spectroscopy

2014 ◽  
Vol 140 (8) ◽  
pp. 084701 ◽  
Author(s):  
Justin R. Caram ◽  
Haibin Zheng ◽  
Peter D. Dahlberg ◽  
Brian S. Rolczynski ◽  
Graham B. Griffin ◽  
...  
Keyword(s):  
Quantum Dots ◽  
Electronic Spectroscopy ◽  
Cdse Quantum Dots ◽  
Two Dimensional

scholarly journals Two-dimensional electronic spectroscopy as a tool for tracking molecular conformations in DNA/RNA aggregates

2018 ◽  
Vol 207 ◽  
pp. 233-250 ◽  
Author(s):  
Javier Segarra-Martí ◽  
Vishal K. Jaiswal ◽  
Ana Julieta Pepino ◽  
Angelo Giussani ◽  
Artur Nenov ◽  
...  
Keyword(s):  
Nucleic Acid ◽  
Ground State ◽  
Electronic Spectra ◽  
Crucial Role ◽  
Electronic Spectroscopy ◽  
Two Dimensional ◽  
Molecular Conformations ◽  
Computational Strategy

A computational strategy to simulate two-dimensional electronic spectra (2DES) is introduced, which allows characterising ground state conformations of flexible nucleobase aggregates that play a crucial role in nucleic acid photochemistry.

scholarly journals Two Dimensional Broadband Electronic Spectroscopy of Photosystem II Core Complexes

2013 ◽  
Vol 104 (2) ◽  
pp. 653a
Author(s):  
Henry D. Wilson ◽  
Franklin D. Fuller ◽  
Charles F. Yocum ◽  
Jennifer P. Ogilvie
Keyword(s):  
Photosystem Ii ◽  
Electronic Spectroscopy ◽  
Two Dimensional

scholarly journals Two-Dimensional Electronic Spectroscopy of a Model Dimer System

2013 ◽  
Vol 41 ◽  
pp. 05032 ◽  
Author(s):  
A. Halpin ◽  
P.J.M. Johnson ◽  
R.S. Murphy ◽  
V.I. Prokhorenko ◽  
R.J.D. Miller
Keyword(s):  
Electronic Spectroscopy ◽  
Two Dimensional ◽  
Model Dimer
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