Assessing computationally efficient isomerization dynamics: ΔSCF density-functional theory study of azobenzene molecular switching

RJ Maurer, K Reuter - The Journal of chemical physics, 2011 - pubs.aip.org
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 …

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 …

Photoresponsive Molecules in Well‐Defined Nanoscale Environments

YB Zheng, BK Pathem, JN Hohman… - Advanced …, 2013 - Wiley Online Library
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 …

Excited-state potential-energy surfaces of metal-adsorbed organic molecules from linear expansion Δ-self-consistent field density-functional theory (ΔSCF-DFT)

RJ Maurer, K Reuter - The Journal of Chemical Physics, 2013 - pubs.aip.org
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 …

Bistability loss as key feature in azobenzene (non-) switching on metal surfaces

RJ Maurer, K Reuter - arXiv preprint arXiv:1210.1347, 2012 - arxiv.org
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 …

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 …

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 …

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 …

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 …

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 …