Electronic-structure methods for materials design
The accuracy and efficiency of electronic-structure methods to understand, predict and
design the properties of materials has driven a new paradigm in research. Simulations can …
design the properties of materials has driven a new paradigm in research. Simulations can …
Attosecond spectroscopy for the investigation of ultrafast dynamics in atomic, molecular and solid-state physics
R Borrego-Varillas, M Lucchini… - Reports on Progress in …, 2022 - iopscience.iop.org
Since the first demonstration of the generation of attosecond pulses (1 as= 10− 18 s) in the
extreme-ultraviolet spectral region, several measurement techniques have been introduced …
extreme-ultraviolet spectral region, several measurement techniques have been introduced …
Many-body perturbation theory calculations using the yambo code
D Sangalli, A Ferretti, H Miranda… - Journal of Physics …, 2019 - iopscience.iop.org
Abstract yambo is an open source project aimed at studying excited state properties of
condensed matter systems from first principles using many-body methods. As input, yambo …
condensed matter systems from first principles using many-body methods. As input, yambo …
Photo-Induced Bandgap Renormalization Governs the Ultrafast Response of Single-Layer MoS2
Transition metal dichalcogenides (TMDs) are emerging as promising two-dimensional (2D)
semiconductors for optoelectronic and flexible devices. However, a microscopic explanation …
semiconductors for optoelectronic and flexible devices. However, a microscopic explanation …
The 2021 ultrafast spectroscopic probes of condensed matter roadmap
J Lloyd-Hughes, PM Oppeneer… - Journal of Physics …, 2021 - iopscience.iop.org
In the 60 years since the invention of the laser, the scientific community has developed
numerous fields of research based on these bright, coherent light sources, including the …
numerous fields of research based on these bright, coherent light sources, including the …
Real-time GW-BSE investigations on spin-valley exciton dynamics in monolayer transition metal dichalcogenide
We develop an ab initio nonadiabatic molecular dynamics (NAMD) method based on GW
plus real-time Bethe-Salpeter equation (GW+ rtBSE-NAMD) for the spin-resolved exciton …
plus real-time Bethe-Salpeter equation (GW+ rtBSE-NAMD) for the spin-resolved exciton …
Quantum Coherence Facilitates Efficient Charge Separation at a MoS2/MoSe2 van der Waals Junction
R Long, OV Prezhdo - Nano letters, 2016 - ACS Publications
Two-dimensional transition metal dichalcogenides (MX2, M= Mo, W; X= S, Se) hold great
potential in optoelectronics and photovoltaics. To achieve efficient light-to-electricity …
potential in optoelectronics and photovoltaics. To achieve efficient light-to-electricity …
Giant exciton-enhanced shift currents and direct current conduction with subbandgap photo excitations produced by many-electron interactions
Shift current is a direct current generated from nonlinear light–matter interaction in a
noncentrosymmetric crystal and is considered a promising candidate for next-generation …
noncentrosymmetric crystal and is considered a promising candidate for next-generation …
SALMON: Scalable ab-initio light–matter simulator for optics and nanoscience
Abstract SALMON (Scalable Ab-initio Light–Mattersimulator for Optics and Nanoscience,
http://salmon-tddft. jp) is a software package for the simulation of electron dynamics and …
http://salmon-tddft. jp) is a software package for the simulation of electron dynamics and …
New concepts and modeling strategies to design and evaluate photo-electro-catalysts based on transition metal oxides
P Liao, EA Carter - Chemical Society Reviews, 2013 - pubs.rsc.org
Photocatalytic production of transportation fuels should be among our long term strategies to
achieve energy and environmental sustainability for the planet, but the technology is …
achieve energy and environmental sustainability for the planet, but the technology is …