Assessing computationally efficient isomerization dynamics: ΔSCF density-functional theory study of azobenzene molecular switching
We present a detailed comparison of the S0, S1 (n→ π*) and S2 (π→ π*) potential energy
surfaces (PESs) of the prototypical molecular switch azobenzene as obtained by Δ-self …
surfaces (PESs) of the prototypical molecular switch azobenzene as obtained by Δ-self …
Reversible and efficient light-induced molecular switching on an insulator surface
S Jaekel, A Richter, R Lindner, R Bechstein, C Nacci… - ACS …, 2018 - ACS Publications
Prototypical molecular switches such as azobenzenes exhibit two states, ie, trans and cis,
with different characteristic physical properties. In recent years various derivatives were …
with different characteristic physical properties. In recent years various derivatives were …
Photoresponsive Molecules in Well‐Defined Nanoscale Environments
Stimuli‐responsive molecules are key building blocks of functional molecular materials and
devices. These molecules can operate in a range of environments. A molecule's local …
devices. These molecules can operate in a range of environments. A molecule's local …
Excited-state potential-energy surfaces of metal-adsorbed organic molecules from linear expansion Δ-self-consistent field density-functional theory (ΔSCF-DFT)
Accurate and efficient simulation of excited state properties is an important and much
aspired cornerstone in the study of adsorbate dynamics on metal surfaces. To this end, the …
aspired cornerstone in the study of adsorbate dynamics on metal surfaces. To this end, the …
Bistability loss as key feature in azobenzene (non-) switching on metal surfaces
Coinage metal adsorbed azobenzene is investigated as prototypical molecular switch. It is
shown that switching capabilities are not just lost due to excited state quenching, but already …
shown that switching capabilities are not just lost due to excited state quenching, but already …
Diarylethene molecules on a Ag (111) surface: stability and electron-induced switching
J Wirth, N Hatter, R Drost, TR Umbach… - The Journal of …, 2015 - ACS Publications
Diarylethene derivatives are photochromic molecular switches, undergoing a ring-opening/-
closing reaction by illumination with light. The symmetry of the closed form is determined by …
closing reaction by illumination with light. The symmetry of the closed form is determined by …
Induction of a Photostationary Ring-Opening—Ring-Closing State of Spiropyran Monolayers<? format?> on the Semimetallic Bi (110) Surface
G Schulze, KJ Franke, JI Pascual - Physical review letters, 2012 - APS
Molecular switches on metal surfaces typically show very little photoreactivity. Using
scanning tunneling microscopy, we show that the ring-opening–ring-closing switch …
scanning tunneling microscopy, we show that the ring-opening–ring-closing switch …
Light‐induced Photoswitching of 4‐(Phenylazo) benzoic Acid on Au (111)
CD Liyanage, JJ Ortiz‐Garcia, A Struckmeier… - …, 2023 - Wiley Online Library
Photochromic molecules can undergo a reversible conversion between two isomeric forms
upon exposure to external stimuli such as electromagnetic radiation. A significant physical …
upon exposure to external stimuli such as electromagnetic radiation. A significant physical …
A Scanning Tunneling Microscopy Study of the Photoisomerization of Diazocine
C Dehiwala Liyanage, JJ Ortiz-Garcia… - The Journal of …, 2024 - ACS Publications
Azobenzenes are fascinating molecular machines that can reversibly transform between two
isomeric forms by an external stimulus. Diazocine, a type of bridged azobenzene, has been …
isomeric forms by an external stimulus. Diazocine, a type of bridged azobenzene, has been …
Light driven reactions of single physisorbed azobenzenes
M Bazarnik, J Henzl, R Czajka… - Chemical …, 2011 - pubs.rsc.org
Light driven reactions of single physisorbed azobenzenes - Chemical Communications (RSC
Publishing) DOI:10.1039/C1CC11578B Royal Society of Chemistry View PDF VersionPrevious …
Publishing) DOI:10.1039/C1CC11578B Royal Society of Chemistry View PDF VersionPrevious …