Realisation of a perfect absorber A = 1 with transmittance and reflectance T = R = 0 by a thin metasurface is one of the hot topics in recent nanophotonics prompted by energy harvesting and sensor applications ( A + R + T = 1 is the energy conservation). Here we tested the optical properties of over 400 structures of metal-insulator-metal (MIM) metasurfaces for a range of variation in thickness of insulator, diameter of a disc and intra-disc distance both experimentally and numerically. Conditions of a near perfect absorption A > 95 % with simultaneously occurring anti-reflection property ( R < 5 % ) was experimentally determined. Differences between the bulk vs. nano-thin film properties at mid-IR of the used materials can be of interest for plasmonic multi-metal alloys and high entropy metals.
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http://dx.doi.org/10.3390/mi11040409 | DOI Listing |
Adv Mater
May 2024
CAS Center for Excellence in Nanoscience, CAS Key Laboratory for Biomedical Effects of Nanomaterials and Nanosafety, National Center for Nanoscience and Technology (NCNST), No. 11 Beiyitiao, Zhongguancun, Haidian District, Beijing, 100190, China.
Materialomics integrates experiment, theory, and computation in a high-throughput manner, and has changed the paradigm for the research and development of new functional materials. Recently, with the rapid development of high-throughput characterization and machine-learning technologies, the establishment of biomaterialomics that tackles complex physiological behaviors has become accessible. Breakthroughs in the clinical translation of nanoparticle-based therapeutics and vaccines have been observed.
View Article and Find Full Text PDFNat Chem
September 2021
Department of Chemistry and Chemical Biology, University of New Mexico, Albuquerque, NM, USA.
The Born-Oppenheimer approximation, assuming separable nuclear and electronic motion, is widely adopted for characterizing chemical reactions in a single electronic state. However, the breakdown of the Born-Oppenheimer approximation is omnipresent in chemistry, and a detailed understanding of the non-adiabatic dynamics is still incomplete. Here we investigate the non-adiabatic quenching of electronically excited OH(AΣ) molecules by H molecules using full-dimensional quantum dynamics calculations for zero total nuclear angular momentum using a high-quality diabatic-potential-energy matrix.
View Article and Find Full Text PDFJ Am Chem Soc
March 2021
Chemical Sciences and Engineering Division, Argonne National Laboratory, Lemont, Illinois 60439, United States.
The development of high-fidelity mechanisms for chemically reactive systems is a challenging process that requires the compilation of rate descriptions for a large and somewhat ill-defined set of reactions. The present unified combination of modeling, experiment, and theory provides a paradigm for improving such mechanism development efforts. Here we combine broadband rotational spectroscopy with detailed chemical modeling based on rate constants obtained from automated ab initio transition state theory-based master equation calculations and high-level thermochemical parametrizations.
View Article and Find Full Text PDFACS Appl Mater Interfaces
February 2021
Institute of Experimental Physics I and Center for Materials Research (LaMa), Justus Liebig University Giessen, Heinrich-Buff-Ring 16, D-35392 Giessen, Germany.
High-performance solar cells demand efficient charge-carrier excitation, separation, and extraction. These requirements hold particularly true for molecular photovoltaics, where large exciton binding energies render charge separation challenging at their commonly complex donor-acceptor interface structure. Among others, charge-transfer (CT) states are considered to be important precursors for exciton dissociation and charge separation.
View Article and Find Full Text PDFJ Org Chem
January 2021
Department of Chemistry and Biochemistry, California State University, Fullerton, California 92834-6866, United States.
This paper describes a joint experiment-theory investigation of the formation and cyclization of 2'-alkynylacetophenone oxime radical cations using photoinduced electron transfer (PET) with DCA as the photosensitizer. Using a combination of experimental H and C nuclear magnetic resonance (NMR) spectra, high-resolution mass spectrometry, and calculated NMR chemical shifts, we identified the products to be isoindole -oxides. The reaction was found to be stereoselective; only one of the two possible stereoisomers is formed under these conditions.
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