Using time-dependent density functional theory to simulate UV-visible absorption spectra and calculate corrected emission energies of 2,1,3-benzotelluradiazolesUsing time-dependent density functional theory to simulate UV-visible absorption spectra and calculate corrected emission energies of 2,1,3-benzotelluradiazoles

Συγγραφείς: Carolayne S. Gomes, Gabriel R. C. Sampaio, Francisco E. Jorge

Πηγή: Royal Society Open Science, Vol 13, Iss 8, Pp - (2026)

Θεματικοί όροι: UV-visible absorption spectra, emission energies, time-dependent density functional theory non-relativistic and relativistic calculations, 2,1,3-benzotelluradiazole derivatives, Science

Περιγραφή αρχείου: electronic resource

Relation: https://doaj.org/toc/2054-5703

Σύνδεσμος πρόσβασης: https://doaj.org/article/d45a3397bccc49258261dc49afd01045

Assessing the impact of CH4/H2 blends on the thermodynamic performance of aero-derivative gas turbine CHP configurations

Συγγραφείς: Mendoza morales, Maria Jose, Blondeau, Julien, De paepe, Ward

Συνεισφορές: SPF Economie - Service Public Fédéral Économie, PME, Classes moyennes et Énergie, Thermodynamics and Fluid Mechanics Group, Faculty of Engineering, Applied Mechanics

Θεματικοί όροι: gas turbine, Energy, Control strategies, Renewable Energy, Sustainability and the Environment, Energy systems, Performance, Energy Engineering and Power Technology, Condensed Matter Physics, thermodynamic cycle, Engineering, computing & technology, Ingénierie, informatique & technologie, Emission energies, Fuel Technology, CH 4, Thermodynamic performance, Thermo dynamic analysis, Thermodynamic analysis, Zero carbons, Energie, Cogeneration, Gas turbines, Hydrogen, Carbon emissions

Σύνδεσμος πρόσβασης: https://biblio.vub.ac.be/vubir/assessing-the-impact-of-ch4h2-blends-on-the-thermodynamic-performance-of-aeroderivative-gas-turbine-chp-configurations(4da2fc1a-9886-47fd-b8c4-98cfee8ffd61).html
https://hdl.handle.net/20.500.14017/4da2fc1a-9886-47fd-b8c4-98cfee8ffd61
https://doi.org/10.1016/j.ijhydene.2024.04.137

Excited-state dynamics of imiquimod in aqueous solutions

Συγγραφείς: Takkella, Dineshbabu ^a, Sharma, Sudhanshu ^a, Martinez-Fernandez, Lara ^{b, ⁎}, Gavvala, Krishna ^{a, ⁎}

Πηγή: In Journal of Photochemistry & Photobiology, A: Chemistry 1 October 2022 431

Computational Investigation of Structural and Spectroscopic Properties of LOV-Based Proteins with Improved Fluorescence

Συγγραφείς: Cardoso Ramos, Felipe, Cupellini, Lorenzo, Mennucci, Benedetta

Πηγή: J Phys Chem B
The Journal of Physical Chemistry B

Θεματικοί όροι: 0301 basic medicine, Computational Investigation, LOV-Based Proteins, Chemical Sciences not elsewhere classified, Light, LOV proteins, LOV variants, Biophysics, Molecular Dynamics Simulation, Mechanics, Biochemistry, spectroscopic response, 03 medical and health sciences, Stokes shift, Flavins, Genetics, ground state, Molecular Biology, 0303 health sciences, Spectrum Analysis, excitation, Proteins, Oxygen, iLOV, binding pockets, fluorescence properties, emission energies, Medicine, Molecular Dynamics simulations, Spectroscopic Properties, mutation, Physical Sciences not elsewhere classified, Fluorescence Flavin-based, Biotechnology, Biological Sciences not elsewhere classified

Περιγραφή αρχείου: application/pdf

Σύνδεσμος πρόσβασης: https://pubs.acs.org/doi/pdf/10.1021/acs.jpcb.0c10834
https://pubmed.ncbi.nlm.nih.gov/33566620

Machine learning-assisted prediction of emission energies in radical luminescent materials

Συγγραφείς: Zhou, Haiping ^a, Liu, Jiawang ^a, Zhong, Ronglin ^{a, ⁎}, Pan, Qingqing ^{b, ⁎}, Su, Zhongmin ^{a, ⁎}

Πηγή: In Chinese Chemical Letters January 2026

InGaN Platelets: Synthesis and Applications toward Green and Red Light-Emitting Diodes

Συγγραφείς: Bi, Zhaoxia, Author, Lenrick, Filip, Author, Colvin, Jovana, Author, Gustafsson, Anders, Author, Hultin, Olof, Author, Nowzari, Ali, Author, Lu, Taiping, Author, Wallenberg, Reine, Author, Timm, Rainer, Author, Mikkelsen, Anders, Author, Ohlsson, Jonas, Author, Storm, Kristian, Author, Monemar, Bo, Author, Samuelson, Lars, Author

Συνεισφορές: Bi, Zhaoxia, Author, Lenrick, Filip, Author, Colvin, Jovana, Author, Gustafsson, Anders, Author, Hultin, Olof, Author, Nowzari, Ali, Author, Lu, Taiping, Author, Wallenberg, Reine, Author, Timm, Rainer, Author, Mikkelsen, Anders, Author, Ohlsson, Jonas, Author, Storm, Kristian, Author, Monemar, Bo, Author, Samuelson, Lars, Author

Πηγή: Nano Letters. 19(5):2832-2839

Θεματικοί όροι: InGaN, light-emitting diodes, metal-organic vapor-phase epitaxy, platelets, selective area growth, Diodes, Gallium nitride, III-V semiconductors, Lattice constants, Light emitting diodes, Metallorganic vapor phase epitaxy, Optical properties, Organometallics, Semiconductor alloys, Emission energies, Green emissions, In-situ annealing, InGaN quantum wells, Metal-organic vapor phase epitaxy, Quantum well emission, Semiconductor quantum wells

Περιγραφή αρχείου: print

Σύνδεσμος πρόσβασης: https://urn.kb.se/resolve?urn=urn:nbn:se:ri:diva-38684

Non-radiative deactivation of excited cytosine: probing of different DFT functionals and basis sets in solvents with different polarity

Συγγραφείς: Cherneva, T. D.^Aff1, Todorova, M. M.^Aff1, Bakalska, R. I.^Aff1, Horkel, E.^Aff2, Delchev, V. B.^{Aff1, IDs00894022053136_cor5}

Πηγή: Journal of Molecular Modeling: Computational Chemistry - Life Science - Advanced Materials - New Methods. 28(10)

Computational Investigation of Structural and Spectroscopic Properties of LOV-Based Proteins with Improved Fluorescence

Συγγραφείς: Felipe Cardoso Ramos (10126192), Lorenzo Cupellini (1562617), Benedetta Mennucci (1292400)

Θεματικοί όροι: Biophysics, Biochemistry, Medicine, Genetics, Molecular Biology, Biotechnology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, Computational Investigation, excitation, fluorescence properties, Stokes shift, LOV proteins, Molecular Dynamics simulations, emission energies, iLOV, Fluorescence Flavin-based, mutation, LOV variants, LOV-Based Proteins, Spectroscopic Properties, spectroscopic response, Mechanics, ground state, binding pockets

Relation: https://figshare.com/articles/journal_contribution/Computational_Investigation_of_Structural_and_Spectroscopic_Properties_of_LOV-Based_Proteins_with_Improved_Fluorescence/13875130

Διαθεσιμότητα: https://doi.org/10.1021/acs.jpcb.0c10834.s001

Tuning emission energy and fine structure splitting in quantum dots emitting in the telecom O-band

Συγγραφείς: Höfer, B., Olbrich, F., Kettler, J., Paul, M., Höschele, J., Jetter, M., Portalupi, S.L., Ding, F., Michler, P., Schmidt, O.G.

Πηγή: AIP Advances

Θεματικοί όροι: ddc:530, Atomic physics, Gallium compounds, Nanocrystals, Piezoelectric actuators, Semiconducting indium gallium arsenide, Emission energies, Entangled photon pairs, Fine structure splitting, Optical investigation, Quantum dot emission, Quantum dots emitting, Resolution limits, Telecommunication wavelengths, Semiconductor quantum dots

Περιγραφή αρχείου: application/pdf; text/xml

Relation: https://doi.org/10.34657/3593; https://oa.tib.eu/renate/handle/123456789/4964

Διαθεσιμότητα: https://oa.tib.eu/renate/handle/123456789/4964
https://doi.org/10.34657/3593

Solvent influence on the excited states of the oxo form of barbituric acid and the mechanisms of the out-of-plane non-radiative elongation of the N[sbnd]H bond: A comparative theoretical and experimental study

Συγγραφείς: Shterev, Ivan G. ^a, Delchev, Vassil B. ^{b, ⁎}

Πηγή: In Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 5 May 2014 125:384-390

Growth and Characterization of Self-Assembled InAs/InP Quantum Dot Structures

Συγγραφείς: Barik, Satyanarayan, Wong-Leung, Jennifer, Jagadish, Chennupati, Tan, Hark Hoe

Πηγή: Journal of Nanoscience and Nanotechnology. 10:1525-1536

Θεματικοί όροι: Exchange reaction, Optical properties, InAs/InP quantum dots, GaAs, InP, Lattice-matched, Growth conditions, Growth time, PL intensit Growth of self-assembled quantum dots, 01 natural sciences, Growth parameters, Keywords: 1550 nm, Horizontal flows, Cap layers, Metalorganic chemical vapor deposition, InAs/InP, MOCVD, 0103 physical sciences, PL emission energies, GaInAsP, Inas quantum dots

Σύνδεσμος πρόσβασης: https://pubmed.ncbi.nlm.nih.gov/20355541

Tuning emission energy and fine structure splitting in quantum dots emitting in the telecom O-band

Συγγραφείς: B. Höfer, F. Olbrich, J. Kettler, M. Paul, J. Höschele, M. Jetter, S. L. Portalupi, F. Ding, P. Michler, O. G. Schmidt

Πηγή: AIP Advances, Vol 9, Iss 8, Pp 085112-085112-6 (2019)
AIP Advances

Θεματικοί όροι: Entangled photon pairs, MOVPE-grown InGaAs/GaAs quantum dot, QC1-999, Quantum dots emitting, FOS: Physical sciences, 02 engineering and technology, 7. Clean energy, Atomic physics, Emission energies, Resolution limits, Mesoscale and Nanoscale Physics (cond-mat.mes-hall), 81V80, Quantum dot emission, Semiconductor quantum dots, Piezoelectric actuators, Quantum Physics, Condensed Matter - Mesoscale and Nanoscale Physics, Semiconducting indium gallium arsenide, Physics, Gallium compounds, uniaxial piezoelectric actuator, Nanocrystals, Fine structure splitting, Dewey Decimal Classification::500 | Naturwissenschaften::530 | Physik, Optical investigation, Quantum Physics (quant-ph), 0210 nano-technology, Telecommunication wavelengths, telecommunication wavelength

Σύνδεσμος πρόσβασης: https://aip.scitation.org/doi/pdf/10.1063/1.5110865
http://arxiv.org/abs/1802.03660
https://doaj.org/article/0358a2fbccda4677ac5abdf7b46fcca9

Independent tuning of excitonic emission energy and decay time in single semiconductor quantum dots

Συγγραφείς: Höfer, B., Zhang, J., Wildmann, J., Zallo, E., Trotta, R., Ding, Fei, Rastelli, A., Schmidt, O.G.

Πηγή: Applied Physics Letters 110 (2017), Nr. 15

Θεματικοί όροι: Electric fields, Excitons, Locks (fasteners), Nanocrystals, Particle beams, Photons, Piezoelectric actuators, Tuning, Biaxial strains, Closed-loop feedback, Emission energies, Excitonic emission energy, Indistinguishability, Neutral excitons, Single-photon source, Vertical electric fields, Semiconductor quantum dots, ddc:530

Relation: http://dx.doi.org/10.15488/2246

Διαθεσιμότητα: http://www.repo.uni-hannover.de/handle/123456789/2272
https://doi.org/10.15488/2246

CdS/CdSe lateral heterostructure nanobelts by a two-step physical vapor transport method

Συγγραφείς: Kim, Yu Lee, Jung, Jae Hun, Yoon, Hyun Sik, Song, Man Suk, Bae, Se Hwan, Kim, Yong, Chen, Zhi Gang, Zou, Jin, Joyce, Hannah J, Gao, Qiang, Jagadish, Chennupati, Tan, Hark Hoe

Πηγή: Nanotechnology

Θεματικοί όροι: Keywords: Blue shift, CdS, Correlated parameters, Emission energies, Emission wavelength, Growth anisotropy, Heterostructures, Microphotoluminescence, Nonuniform, Physical vapor transport, Ternary nanostructure, Cadmium alloys, Cadmium sulfide, Data storage equipme

Περιγραφή αρχείου: application/pdf

Relation: https://hdl.handle.net/1885/30767

Διαθεσιμότητα: https://hdl.handle.net/1885/30767
https://doi.org/10.1088/0957-4484/21/14/145602
https://openresearch-repository.anu.edu.au/bitstreams/ea5ec47e-c58c-409d-8dee-fa0922cf8580/download
https://openresearch-repository.anu.edu.au/bitstreams/8e8dccc1-4851-46e6-a1a5-6767511634d2/download
https://openresearch-repository.anu.edu.au/bitstreams/ed0495bf-899a-480b-99a9-d026064e2c1c/download

Structural and Optical Characterization of Vertical GaAs / GaP Core-Shell Nanowires Grown on Si Substrates

Συγγραφείς: Kang, Jung-Hyun, Gao, Qiang, Joyce, Hannah J, Kim, Yong, Guo, YaNan, Xu, Hongyi, Zou, Jin, Fickenscher, M A, Smith, Leigh M, Jackson, Howard E, Yarrison-Rice, Jan M, Jagadish, Chennupati, Tan, Hark Hoe

Πηγή: 2010 conference on Optoelectronic and Microelectronic Materials and Devices Proceedings
http://commad2010.anu.edu.au/

Θεματικοί όροι: Keywords: Core-shell nanowires, Emission energies, GaAs, Optical characterization, Shell thickness, Si substrates, Si surfaces, Si(111) substrate, Two-temperature, Crystal structure, Gallium arsenide, Microelectronics, Nanowires, Semiconducting gallium, Silicon, Ga

Θέμα γεωγραφικό: Canberra Australia

Περιγραφή αρχείου: application/pdf

Relation: Conference on Optoelectronic and Microelectronic Materials and Devices (COMMAD 2010); https://hdl.handle.net/1885/52148

Διαθεσιμότητα: https://hdl.handle.net/1885/52148
https://doi.org/10.1109/COMMAD.2010.5699778
https://openresearch-repository.anu.edu.au/bitstreams/1a01ccaa-0ee0-40d3-96ea-0c5397e47e1b/download
https://openresearch-repository.anu.edu.au/bitstreams/d3e607f1-2802-41dc-bb28-f7f1aa455e2f/download
https://openresearch-repository.anu.edu.au/bitstreams/1c5aca57-4ca0-4a58-a35a-27e19c529cba/download

Au-catalyzed InP nanowires: The influence of growth temperature and V/III ratio

Συγγραφείς: Paiman, Suriati, Gao, Qiang, Joyce, Hannah J, Jagadish, Chennupati, Kim, Yong, Guo, Y., Zou, Jin, Tan, Hark Hoe

Πηγή: Conference on Optoelectronic and Microelectronic Materials and Devices, Proceedings, COMMAD

Θεματικοί όροι: Keywords: Blue-shifted, Emission energies, Emission wavelength, Growth conditions, Growth parameters, InP, Metalorganic chemical vapor deposition, Microphotoluminescence, Temperature increase, Temperature range, V/III ratio, Wurtzites, Zinc-blende, Catalysis, Growt

Θέμα γεωγραφικό: Canberra, ACT

Περιγραφή αρχείου: application/pdf

Relation: 2010 Conference on Optoelectronic and Microelectronic Materials and Devices, COMMAD 2010; https://hdl.handle.net/1885/83565

Διαθεσιμότητα: https://hdl.handle.net/1885/83565
https://doi.org/10.1109/COMMAD.2010.5699767
https://openresearch-repository.anu.edu.au/bitstreams/f4387c51-1c9e-42ec-ba0e-d7a9d632875c/download
https://openresearch-repository.anu.edu.au/bitstreams/8dd5c874-c1d9-424f-84a1-8e3c9ad4e674/download
https://openresearch-repository.anu.edu.au/bitstreams/cdfb1c7a-878c-4229-af0d-bf097d168e25/download

Evaluation of decay data of radium-226 and its daughters

Συγγραφείς: Chisté, Vanessa, Bé, Marie-Martine, Dulieu, Christophe

Συνεισφορές: Laboratoire National Henri Becquerel (CEA, LIST) (LNHB (CEA, LIST)), Département Métrologie Instrumentation & Information (CEA, LIST) (DM2I (CEA, LIST)), Laboratoire d'Intégration des Systèmes et des Technologies (LIST (CEA)), Direction de Recherche Technologique (CEA) (DRT (CEA)), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Direction de Recherche Technologique (CEA) (DRT (CEA)), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Paris-Saclay-Laboratoire d'Intégration des Systèmes et des Technologies (LIST (CEA)), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Paris-Saclay

Πηγή: International Conference on Nuclear Data for Science and Technology ; https://cea.hal.science/cea-05462403 ; International Conference on Nuclear Data for Science and Technology, Apr 2007, Nice, France. pp.77-80, ⟨10.1051/ndata:07122⟩

Θεματικοί όροι: Ra-226 chain, emission energies, half-life, Decay data evaluation, ionizing radiation, radioactivity, metrology, [PHYS.PHYS.PHYS-ATOM-PH]Physics [physics]/Physics [physics]/Atomic Physics [physics.atom-ph]

Θέμα γεωγραφικό: Nice, France

Time: Nice, France

Διαθεσιμότητα: https://cea.hal.science/cea-05462403
https://cea.hal.science/cea-05462403v2/document
https://cea.hal.science/cea-05462403v2/file/Evaluation%20of%20decay%20data%20of%20radium-226%20and%20its%20daughters.pdf
https://doi.org/10.1051/ndata:07122

The effect of post‐growth thermal annealing on the emission spectra of GaAs/AlGaAs quantum dots grown by droplet epitaxy

Συγγραφείς: Moon, P Moon, Pilkyung, Lee, JD Lee, J. D., Ha, SK Ha, S. K., Lee, EH Lee, E. H., Choi, WJ Choi, W. J., Song, JD Song, J. D., Kim, JS Kim, J. S., Dang, LS Dang, L. S.

Συνεισφορές: Moon, P Moon, Pilkyung, Ha, SK Ha, S. K., Lee, EH Lee, E. H., Choi, WJ Choi, W. J., Song, JD Song, J. D., Kim, JS Kim, J. S., Dang, LS Dang, L. S., Lee, JD Lee, J. D.

Πηγή: physica status solidi (RRL) – Rapid Research Letters. 6:445-447

Θεματικοί όροι: Luminescence, Superlattices, Algaas, Droplet Epitaxy, FOS: Physical sciences, 02 engineering and technology, 01 natural sciences, Aluminum Gallium Arsenide, Annealing, Optical Activation, Postgrowth Thermal Annealing, GaAs/AlGaAs, Peak Shift, Quantum Dots, Mesoscale and Nanoscale Physics (cond-mat.mes-hall), 0103 physical sciences, Emission Energies, Emission Spectroscopy, Semiconductor Quantum Dots, Emission Spectrums, Optical Properties, Epitaxial Growth, Condensed Matter - Materials Science, Condensed Matter - Mesoscale and Nanoscale Physics, GaAs, Thermal-Annealing, Materials Science (cond-mat.mtrl-sci), Scanning Transmission Electron Microscopy, Transmission Electron Microscopy, Drops, 0210 nano-technology

Σύνδεσμος πρόσβασης: http://arxiv.org/pdf/1208.4408
http://arxiv.org/abs/1208.4408

Closed-shell d10–d10 in [AuCl(CNR)]n and [AuCl(CO)]n (n = 1, 2; R = –H, –CH3, –Cy) complexes: quantum chemistry study of their electronic and optical properties

Συγγραφείς: Mendizabal, F., Miranda-Rojas, S.

Θεματικοί όροι: Electronic structure, Spectroscopic properties, [AuCl(CNR)] and [AuCl(CO)] complexes, d10–d10 interactions, Metal–metal charge transfer (MMCT), Absorption and emission energies

Περιγραφή αρχείου: application/pdf

Relation: https://repositorio.unab.cl/handle/ria/60056; https://doi.org/10.1039/d1ra07269b

Διαθεσιμότητα: https://repositorio.unab.cl/handle/ria/60056
https://doi.org/10.1039/d1ra07269b

Independent tuning of excitonic emission energy and decay time in single semiconductor quantum dots

Συγγραφείς: B. Höfer, J. Zhang, J. Wildmann, E. Zallo, R. Trotta, F. Ding, A. Rastelli, O. G. Schmidt

Πηγή: Applied Physics Letters

Θεματικοί όροι: Independent tuning, emission energy, physics, Photons, Electric fields, Excitonic emission energy, Neutral excitons, Single-photon source, Closed-loop feedback, Tuning, Vertical electric fields, 01 natural sciences, 7. Clean energy, Particle beams, Nanocrystals, Emission energies, Indistinguishability, 0103 physical sciences, Locks (fasteners), Biaxial strains, Semiconductor quantum dots, Excitons, Dewey Decimal Classification::500 | Naturwissenschaften::530 | Physik, Piezoelectric actuators

Περιγραφή αρχείου: application/pdf

Σύνδεσμος πρόσβασης: https://iris.uniroma1.it/bitstream/11573/1091822/2/Trotta_Independent-tuning.pdf