4.7 Article

Diagrammatic quantum Monte Carlo toward the calculation of transport properties in disordered semiconductors

相关参考文献

注意:仅列出部分参考文献,下载原文获取全部文献信息。
Article Chemistry, Physical

Vibrationally Resolved Absorption Spectra and Exciton Dynamics in Zinc Phthalocyanine Aggregates: Effects of Aggregation Lengths and Remote Exciton Transfer

Shishi Feng et al.

Summary: The study theoretically investigates the vibrationally resolved absorption spectra and exciton dynamics in α-zinc phthalocyanine aggregates using a non-Markovian stochastic Schrodinger equation. The results indicate that aggregation lengths and remote exciton transfer significantly influence the relative energy alignment and absorption peak intensities. Dynamics simulations reveal that light absorption can generate mixed states with both FE and CT features, but it is challenging to generate free carriers from the Q-band region due to the high energies of charge-separated states.

JOURNAL OF PHYSICAL CHEMISTRY A (2021)

Review Nanoscience & Nanotechnology

Polarons in materials

Cesare Franchini et al.

Summary: Polarons, arising from the interaction of electrons with lattice vibrations, strongly influence materials properties. This Review provides a map of the theoretical models and experimental techniques used to study polarons in materials, presenting paradigmatic examples of different types of polarons and polaron-driven phenomena.

NATURE REVIEWS MATERIALS (2021)

Article Multidisciplinary Sciences

A general charge transport picture for organic semiconductors with nonlocal electron-phonon couplings

Weitang Li et al.

Summary: The nonlocal electron-phonon couplings in organic semiconductors responsible for the fluctuation of intermolecular transfer integrals have attracted recent interest. Through a numerical study of the Holstein-Peierls model, different scenarios like phonon-assisted transport, transient localization, and band-like transport were identified, each with distinct transport behaviors and characteristics. An intermediate regime was also identified where none of the established pictures applies, showing that the generally perceived hopping regime is limited within the proposed paradigm.

NATURE COMMUNICATIONS (2021)

Article Chemistry, Physical

Dynamic Disorder Drives Exciton Transfer in Tubular Chlorosomal Assemblies

Xinmeng Li et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2020)

Article Chemistry, Physical

Numerically exact approach to open quantum dynamics: The hierarchical equations of motion (HEOM)

Yoshitaka Tanimura

JOURNAL OF CHEMICAL PHYSICS (2020)

Article Chemistry, Physical

Finite-Temperature TD-DMRG for the Carrier Mobility of Organic Semiconductors

Weitang Li et al.

JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2020)

Article Chemistry, Multidisciplinary

Photochemical Control of Exciton Superradiance in Light-Harvesting Nanotubes

Sandra Doria et al.

ACS NANO (2018)

Article Materials Science, Multidisciplinary

Optical signatures of exciton polarons from diagrammatic Monte Carlo

A. S. Mishchenko et al.

PHYSICAL REVIEW B (2018)

Article Chemistry, Physical

A map of high-mobility molecular semiconductors

S. Fratini et al.

NATURE MATERIALS (2017)

Article Chemistry, Multidisciplinary

The Transient Localization Scenario for Charge Transport in Crystalline Organic Materials

Simone Fratini et al.

ADVANCED FUNCTIONAL MATERIALS (2016)

Article Physics, Condensed Matter

Transport properties of KTaO3 from first-principles

Burak Himmetoglu et al.

JOURNAL OF PHYSICS-CONDENSED MATTER (2016)

Article Chemistry, Multidisciplinary

Fast Delocalization Leads To Robust Long-Range Excitonic Transfer in a Large Quantum Chlorosome Model

Nicolas P. D. Sawaya et al.

NANO LETTERS (2015)

Review Chemistry, Multidisciplinary

Nanotubes Self-Assembled from Amphiphilic Molecules via Helical Intermediates

Thomas G. Barclay et al.

CHEMICAL REVIEWS (2014)

Article Chemistry, Multidisciplinary

Atomistic Study of Energy Funneling in the Light-Harvesting Complex of Green Sulfur Bacteria

Joonsuk Huh et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2014)

Article Chemistry, Multidisciplinary

Vibronic coherence in oxygenic photosynthesis

Franklin D. Fuller et al.

NATURE CHEMISTRY (2014)

Article Physics, Multidisciplinary

Quantum coherence in photosynthesis for efficient solar-energy conversion

Elisabet Romero et al.

NATURE PHYSICS (2014)

Article Chemistry, Physical

Memory-Assisted Exciton Diffusion in the Chlorosome Light-Harvesting Antenna of Green Sulfur Bacteria

Takatoshi Fujita et al.

JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2012)

Article Multidisciplinary Sciences

Coherently wired light-harvesting in photosynthetic marine algae at ambient temperature

Elisabetta Collini et al.

NATURE (2010)

Article Multidisciplinary Sciences

Long-lived quantum coherence in photosynthetic complexes at physiological temperature

Gitt Panitchayangkoon et al.

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2010)

Article Chemistry, Physical

Exciton Spectra and the Microscopic Structure of Self-Assembled Porphyrin Nanotubes

S. M. Vlaming et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2009)

Article Chemistry, Physical

Reduced and n-Type Doped TiO2: Nature of Ti3+ Species

Cristiana Di Valentin et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2009)

Article Materials Science, Multidisciplinary

Nuclear tunneling effects of charge transport in rubrene, tetracene, and pentacene

Guangjun Nan et al.

PHYSICAL REVIEW B (2009)

Article Multidisciplinary Sciences

Theoretical examination of quantum coherence in a photosynthetic system at physiological temperature

Akihito Ishizaki et al.

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2009)

Article Multidisciplinary Sciences

Coherent Intrachain Energy Migration in a Conjugated Polymer at Room Temperature

Elisabetta Collini et al.

SCIENCE (2009)

Article Computer Science, Interdisciplinary Applications

wannier90: A tool for obtaining maximally-localised Wannier functions

Arash A. Mostofi et al.

COMPUTER PHYSICS COMMUNICATIONS (2008)

Article Multidisciplinary Sciences

Coherence dynamics in photosynthesis: Protein protection of excitonic coherence

Hohjai Lee et al.

SCIENCE (2007)

Article Multidisciplinary Sciences

Evidence for wavelike energy transfer through quantum coherence in photosynthetic systems

Gregory S. Engel et al.

NATURE (2007)

Article Physics, Applied

Strong polaronic effects on rutile TiO2 electronic band edges -: art. no. 231912

C Persson et al.

APPLIED PHYSICS LETTERS (2005)

Article Multidisciplinary Sciences

Two-dimensional spectroscopy of electronic couplings in photosynthesis

T Brixner et al.

NATURE (2005)

Article Physics, Applied

Effect of impurities on the mobility of single crystal pentacene

OD Jurchescu et al.

APPLIED PHYSICS LETTERS (2004)

Article Materials Science, Multidisciplinary

Anisotropy effects in phonon-assisted charge-carrier transport in organic molecular crystals

K Hannewald et al.

PHYSICAL REVIEW B (2004)