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Strain in Lattice-Mismatched CdSe-Based Core/Shell Nanoplatelets
(American Chemical Society, 2019-08-05)
We investigate the role of stress arising between core and shell materials in colloidal CdSe/X hetero-nanoplatelets (X = ZnS, CdS, CdTe). The resulting strain distribution is calculated within the linear elastic regime and ...
Comparison between Trion and Exciton Electronic Properties in CdSe and PbS Nanoplatelets
(American Chemical Society, 2021-07-07)
The optoelectronic properties of metal chalcogenide
colloidal nanoplatelets are often interpreted in terms of excitonic
states. However, recent spectroscopic experiments evidence the
presence of trion states, enabled ...
Synthesis, molecular structures and EPR spectra of the paramagnetic cuboidal clusters with Mo3S4Ga cores
(Royal Society of Chemistry, 2017)
Electron precise [Mo3(l3-S)(l-S)3(diphos)3Br3]Br (diphos = dppe,
dmpe) incomplete cuboidal clusters with six cluster skeletal electrons
(CSE) were converted into paramagnetic cuboidal [Mo3(GaBr)(l3-S)4-
(diphos)3Br3] ...
Revealing the Origin of the Efficiency of the De Novo Designed Kemp Eliminase HG-3.17 by Comparison with the Former Developed HG-3
(Wiley, 2017-05)
The design of new biocatalysts is a goal in biotechnology to improve the rate, selectivity and environmental impact of industrial chemical processes. In this regard, the use of computational techniques has provided valuable ...
Bifunctional W/NH Cuboidal Aminophosphino W3S4 Cluster Hydrides: The Puzzling Behaviour behind the Hydridic-Protonic Interplay
(Wiley, 2021-09-22)
The novel [W3S4H3(edpp)3]+ (edpp=(2-aminoethyl)diphenylphosphine) (1+) cluster hydride with an acidic −NH2 functionality has been synthetized and studied. Its crystal structure shows the characteristic incomplete W3S4 ...
Molecular Mechanism of the site-specific self-cleavage of the RNA phosphodiester backbone by a Twister Ribozyme
(Springer, 2017-02)
The catalytic activity of some classes of natural RNA, named as ribozymes, has been discovered just in the past decades. In this paper, the cleavage of the RNA phosphodiester backbone has been studied in aqueous solution ...
Directed Two-Photon Absorption in CdSe Nanoplatelets Revealed by k‑Space Spectroscopy
(American Chemical Society, 2017)
We show that two-photon absorption (TPA) is
highly anisotropic in CdSe nanoplatelets, thus promoting them
as a new class of directional two-photon absorbers with large
cross sections. Comparing two-dimensional k-space ...
Excitons in core-only, core-shell and core-crown CdSe nanoplatelets: Interplay between in-plane electron-hole correlation, spatial confinement, and dielectric confinement
(American Physical Society, 2017)
Using semianalytical models we calculate the energy, effective Bohr radius, and radiative lifetime of neutral
excitons confined in CdSe colloidal nanoplatelets (NPLs). The excitonic properties are largely governed by ...
Directed emission of CdSe nanoplatelets originating from strongly anisotropic 2D electronic structure
(Nature Publishing Group, 2017)
ntrinsically directional light emitters are potentially important for applications in photonics including lasing and energy-efficient display technology. Here, we propose a new route to overcome intrinsic efficiency ...
Simulating Enzyme Catalysis
(SBE - Sociedad de Biofísica de España, 2016-09)
Chemistry
is about transformations between
compounds as the result of forming and
breaking
bonds between their atoms. A detailed knowledge
of these
processes should open the door to one of the
most desired goals ...