Results 101 to 110 of about 725,727 (302)

Wavelet Scattering Regression of Quantum Chemical Energies

, 2017
We introduce multiscale invariant dictionaries to estimate quantum chemical energies of organic molecules, from training databases. Molecular energies are invariant to isometric atomic displacements, and are Lipschitz continuous to molecular deformations.
Hirn, Matthew, Mallat, Stéphane, Poilvert, Nicolas   +2 more
core   +1 more source

On‐Surface Indigo‐Based Bimolecular Coordination Networks with Programmable Regular or Vitreous Structure

Advanced Functional Materials, EarlyView.
A previously unreported coordination motif stabilising single Fe atoms by indigo chelation and pyridyl coordination on Au(111) has been revealed. By using planar tritopic pyridyl linkers (TPyB), extended 2D porous networks of indigo3(TPyB)2Fe6 form. These networks can be crystalline or vitreous and offer an environment where individual coordination ...
Hongxiang Xu, Ritam Chakraborty, Biao Yang, Dennis Meier, Joachim Reichert, Svetlana Klyatskaya, Mario Ruben, Shobhana Narasimhan, Johannes V. Barth, Anthoula C. Papageorgiou   +9 more
wiley   +1 more source

Optical Properties of Quantum-Dot-Doped Liquid Scintillators

, 2013
Semiconductor nanoparticles (quantum dots) were studied in the context of liquid scintillator development for upcoming neutrino experiments. The unique optical and chemical properties of quantum dots are particularly promising for the use in neutrinoless
Aberle, C., Li, J. J., Weiss, S., Winslow, L.   +3 more
core   +1 more source

Photoswitching Conduction in Framework Materials

Advanced Functional Materials, EarlyView.
This mini‐review summarizes recent advances in state‐of‐the‐art proton and electron conduction in framework materials that can be remotely and reversibly switched on and off by light. It discusses the various photoswitching conduction mechanisms and the strategies employed to enhance photoswitched conductivity.
Helmy Pacheco Hernandez, Stefan Hecht, Wolfgang Wenzel, Lars Heinke, Mariana Kozlowska   +4 more
wiley   +1 more source

Patterning Planar, Flexible Li-S Battery Full Cells on Laser-Induced Graphene Traces

Nanomaterials
Laser conversion of commercial polymers to laser-induced graphene (LIG) using inexpensive and accessible CO2 lasers has enabled the rapid prototyping of promising electronic and electrochemical devices.
Irene Lau, Adam I. O. Campbell, Debasis Ghosh, Michael A. Pope   +3 more
doaj   +1 more source

Accurate quantum chemical calculations [PDF]

An important goal of quantum chemical calculations is to provide an understanding of chemical bonding and molecular electronic structure. A second goal, the prediction of energy differences to chemical accuracy, has been much harder to attain. First, the
Bauschlicher, Charles W., Jr., Langhoff, Stephen R., Taylor, Peter R.   +2 more
core   +1 more source

Backbone Heterojunction Photocatalysts for Efficient Sacrificial Hydrogen Production

Advanced Functional Materials, EarlyView.
Herein, a ‘single‐component’ organic semiconductor photocatalyst is presented in which a molecular donor is bonded to a polymer acceptor. The resultant material demonstrates exceptional photocatalytic activity for hydrogen evolution in aqueous triethylamine with an outstanding external quantum efficiency of 38% at 420 nm.
Richard J. Lyons, Rhys J. Bourhill, Ewan McQueen, Sam D. Harding, Krzysztof Pawlak, Thomas Fellowes, Harry W. Capps, Alexander J. Cowan, Andrew I. Cooper, Adrian M. Gardner, Martijn A. Zwijnenburg, Reiner Sebastian Sprick   +11 more
wiley   +1 more source

Voxel-scale quantum state control in nanorod ensembles using reconfigurable needle beams

JPhys Photonics
Selective optical addressing of individual nanostructures within dense ensembles remains a major challenge for scalable photonic and quantum-information platforms.
G A Mantashian, D B Hayrapetyan, P A Mantashyan   +2 more
doaj   +1 more source

Quantum-Enhanced Plasmonic Sensing

, 2018
Quantum resources can enhance the sensitivity of a device beyond the classical shot noise limit and, as a result, revolutionize the field of metrology through the development of quantum-enhanced sensors. In particular, plasmonic sensors, which are widely
Dowran, Mohammadjavad, Kumar, Ashok, Lawrie, Benjamin J., Marino, Alberto M., Pooser, Raphael C.   +4 more
core   +1 more source

MOFs and COFs in Electronics: Bridging the Gap between Intrinsic Properties and Measured Performance

Advanced Functional Materials, EarlyView.
Metal‐organic frameworks (MOFs) and covalent organic frameworks (COFs) hold promise for advanced electronics. However, discrepancies in reported electrical conductivities highlight the importance of measurement methodologies. This review explores intrinsic charge transport mechanisms and extrinsic factors influencing performance, and critically ...
Jonas F. Pöhls, R. Thomas Weitz
wiley   +1 more source