The Experts below are selected from a list of 312 Experts worldwide ranked by ideXlab platform
Daniel Vanmaekelbergh - One of the best experts on this subject based on the ideXlab platform.
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Reduced Auger Recombination in Single CdSe/CdS Nanorods by One-Dimensional Electron Delocalization
Nano letters, 2013Co-Authors: Freddy T. Rabouw, Per Lunnemann, Relinde J. A. Van Dijk-moes, Martin Frimmer, Francesca Pietra, A. Femius Koenderink, Daniel VanmaekelberghAbstract:Progress to reduce nonradiative Auger decay in colloidal nanocrystals has recently been made by growing thick shells. However, the physics of Auger suppression is not yet fully understood. Here, we examine the dynamics and spectral characteristics of single CdSe-dot-in-CdS-rod nanocrystals. These exhibit blinking due to charging/discharging, as well as trap-related blinking. We show that one-dimensional Electron Delocalization into the rod-shaped shell can be as effective as a thick spherical shell at reducing Auger recombination of the negative trion state.
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reduced auger recombination in single cdse cds nanorods by one dimensional Electron Delocalization
Nano Letters, 2013Co-Authors: Freddy T. Rabouw, Per Lunnemann, Martin Frimmer, Francesca Pietra, Relinde J A Van Dijkmoes, Femius A Koenderink, Daniel VanmaekelberghAbstract:Progress to reduce nonradiative Auger decay in colloidal nanocrystals has recently been made by growing thick shells. However, the physics of Auger suppression is not yet fully understood. Here, we examine the dynamics and spectral characteristics of single CdSe-dot-in-CdS-rod nanocrystals. These exhibit blinking due to charging/discharging, as well as trap-related blinking. We show that one-dimensional Electron Delocalization into the rod-shaped shell can be as effective as a thick spherical shell at reducing Auger recombination of the negative trion state.
Freddy T. Rabouw - One of the best experts on this subject based on the ideXlab platform.
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Reduced Auger Recombination in Single CdSe/CdS Nanorods by One-Dimensional Electron Delocalization
Nano letters, 2013Co-Authors: Freddy T. Rabouw, Per Lunnemann, Relinde J. A. Van Dijk-moes, Martin Frimmer, Francesca Pietra, A. Femius Koenderink, Daniel VanmaekelberghAbstract:Progress to reduce nonradiative Auger decay in colloidal nanocrystals has recently been made by growing thick shells. However, the physics of Auger suppression is not yet fully understood. Here, we examine the dynamics and spectral characteristics of single CdSe-dot-in-CdS-rod nanocrystals. These exhibit blinking due to charging/discharging, as well as trap-related blinking. We show that one-dimensional Electron Delocalization into the rod-shaped shell can be as effective as a thick spherical shell at reducing Auger recombination of the negative trion state.
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reduced auger recombination in single cdse cds nanorods by one dimensional Electron Delocalization
Nano Letters, 2013Co-Authors: Freddy T. Rabouw, Per Lunnemann, Martin Frimmer, Francesca Pietra, Relinde J A Van Dijkmoes, Femius A Koenderink, Daniel VanmaekelberghAbstract:Progress to reduce nonradiative Auger decay in colloidal nanocrystals has recently been made by growing thick shells. However, the physics of Auger suppression is not yet fully understood. Here, we examine the dynamics and spectral characteristics of single CdSe-dot-in-CdS-rod nanocrystals. These exhibit blinking due to charging/discharging, as well as trap-related blinking. We show that one-dimensional Electron Delocalization into the rod-shaped shell can be as effective as a thick spherical shell at reducing Auger recombination of the negative trion state.
Ikufumi Katayama - One of the best experts on this subject based on the ideXlab platform.
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Terahertz-field-induced nonlinear Electron Delocalization in Au nanostructures
Nano letters, 2015Co-Authors: Katsumasa Yoshioka, Yasuo Minami, Ken-ichi Shudo, Thang Duy Dao, Tadaaki Nagao, Masahiro Kitajima, Jun Takeda, Ikufumi KatayamaAbstract:Improved control over the electromagnetic properties of metal nanostructures is indispensable for the development of next-generation integrated nanocircuits and plasmonic devices. The use of terahertz (THz)-field-induced nonlinearity is a promising approach to controlling local electromagnetic properties. Here, we demonstrate how intense THz electric fields can be used to modulate Electron Delocalization in percolated gold (Au) nanostructures on a picosecond time scale. We prepared both isolated and percolated Au nanostructures deposited on high resistivity Si(100) substrates. With increasing the applied THz electric fields, large opacity in the THz transmission spectra takes place in the percolated nanostructures; the maximum THz-field-induced transmittance difference, 50% more, is reached just above the percolation threshold thickness. Fitting the experimental data to a Drude-Smith model, we found furthermore that the localization parameter and the damping constant strongly depend on the applied THz-field strength. These results show that ultrafast nonlinear Electron Delocalization proceeds via strong electric field of THz pulses; the intense THz electric field modulates the backscattering rate of localized Electrons and induces Electron tunneling between Au nanostructures across the narrow insulating bridges without any material breakdown.
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terahertz field induced nonlinear Electron Delocalization in au nanostructures
Nano Letters, 2015Co-Authors: Katsumasa Yoshioka, Yasuo Minami, Thang Duy Dao, Tadaaki Nagao, Masahiro Kitajima, Jun Takeda, K Shudo, Ikufumi KatayamaAbstract:Improved control over the electromagnetic properties of metal nanostructures is indispensable for the development of next-generation integrated nanocircuits and plasmonic devices. The use of terahertz (THz)-field-induced nonlinearity is a promising approach to controlling local electromagnetic properties. Here, we demonstrate how intense THz electric fields can be used to modulate Electron Delocalization in percolated gold (Au) nanostructures on a picosecond time scale. We prepared both isolated and percolated Au nanostructures deposited on high resistivity Si(100) substrates. With increasing the applied THz electric fields, large opacity in the THz transmission spectra takes place in the percolated nanostructures; the maximum THz-field-induced transmittance difference, 50% more, is reached just above the percolation threshold thickness. Fitting the experimental data to a Drude-Smith model, we found furthermore that the localization parameter and the damping constant strongly depend on the applied THz-fie...
Michael J. Frisch - One of the best experts on this subject based on the ideXlab platform.
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Electron Delocalization Range in Atoms and on Molecular Surfaces.
Journal of chemical theory and computation, 2016Co-Authors: Benjamin G. Janesko, Giovanni Scalmani, Kenneth B. Wiberg, Michael J. FrischAbstract:The Electron Delocalization range function EDR(r⃗; d) (J. Chem. Phys. 2014, 141, 144104) quantifies the extent to which an Electron at point r⃗ in a calculated wave function delocalizes over distance d. This work illustrates how atomic averages of the EDR, and plots of the EDR on molecule surfaces, provide a chemically intuitive picture of the sizes of occupied orbital lobes in different regions. We show how the surface and atomic Delocalization distinguish aminophosphine ligand's hard N and soft P lone pairs, distinguish the site preference for Ag(+) cation binding to conjugated oligomers, and provide information that is different from and complementary to conjugation lengths. Applications to strong correlation and the prototropic tautomerization of phosphinylidenes R1R2HPO illustrates how the surface and atomic Delocalization can work with other tools to provide a nuanced picture of reactivity.
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Quantifying Electron Delocalization in Electrides.
Journal of Chemical Theory and Computation, 2015Co-Authors: Benjamin G. Janesko, Giovanni Scalmani, Michael J. FrischAbstract:Electrides are ionic solids whose anions are Electrons confined to crystal voids. We show that our Electron Delocalization range function EDR(r;d), which quantifies the extent to which an Electron at point r in a calculated wave function delocalizes over distance d, provides useful insights into electrides. The EDR quantifies the characteristic Delocalization length of electride Electrons and provides a chemically intuitive real-space picture of the Electrons’ distribution. It also gives a potential diagnostic for whether a given formula unit will form a solid electride at ambient pressure, quantifies the effects of Electron–Electron correlation on confined Electrons’ interactions, and highlights analogies between covalent bonding and the interaction of interstitial quasi-atoms in high-pressure electrides. These results motivate adding the EDR to the toolbox of theoretical methods applied to electrides.
Benjamin G. Janesko - One of the best experts on this subject based on the ideXlab platform.
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Topological analysis of the Electron Delocalization range.
Journal of computational chemistry, 2016Co-Authors: Benjamin G. JaneskoAbstract:The Electron Delocalization range function EDR( r→;d) (Janesko et al., J. Chem. Phys. 2014, 141, 144104) quantifies the extent to which an Electron at point r→ in a calculated wavefunction delocalizes over distance d. This work shows how topological analysis distills chemically useful information out of the EDR. Local maxima (attractors) in the EDR occur in regions such as atomic cores, covalent bonds, and lone pairs where the wavefunction is dominated by a single orbital lobe. The EDR characterizes each attractor in terms of a Delocalization length D and a normalization N≤1, which are qualitatively consistent with the size of the orbital lobe and the number of lobes in the orbital. Attractors identify the progressively more delocalized atomic shells in heavy atoms, the interplay of Delocalization and strong (nondynamical) correlation in stretched and dissociating covalent bonds, the locations of valence and weakly bound Electrons in anionic water clusters, and the chemistry of different reactive sites on metal clusters. Application to ammonia dissociation over silicon illustrates how this density-matrix-based analysis can give insight into realistic systems. © 2016 Wiley Periodicals, Inc.
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Electron Delocalization Range in Atoms and on Molecular Surfaces.
Journal of chemical theory and computation, 2016Co-Authors: Benjamin G. Janesko, Giovanni Scalmani, Kenneth B. Wiberg, Michael J. FrischAbstract:The Electron Delocalization range function EDR(r⃗; d) (J. Chem. Phys. 2014, 141, 144104) quantifies the extent to which an Electron at point r⃗ in a calculated wave function delocalizes over distance d. This work illustrates how atomic averages of the EDR, and plots of the EDR on molecule surfaces, provide a chemically intuitive picture of the sizes of occupied orbital lobes in different regions. We show how the surface and atomic Delocalization distinguish aminophosphine ligand's hard N and soft P lone pairs, distinguish the site preference for Ag(+) cation binding to conjugated oligomers, and provide information that is different from and complementary to conjugation lengths. Applications to strong correlation and the prototropic tautomerization of phosphinylidenes R1R2HPO illustrates how the surface and atomic Delocalization can work with other tools to provide a nuanced picture of reactivity.
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Quantifying Electron Delocalization in Electrides.
Journal of Chemical Theory and Computation, 2015Co-Authors: Benjamin G. Janesko, Giovanni Scalmani, Michael J. FrischAbstract:Electrides are ionic solids whose anions are Electrons confined to crystal voids. We show that our Electron Delocalization range function EDR(r;d), which quantifies the extent to which an Electron at point r in a calculated wave function delocalizes over distance d, provides useful insights into electrides. The EDR quantifies the characteristic Delocalization length of electride Electrons and provides a chemically intuitive real-space picture of the Electrons’ distribution. It also gives a potential diagnostic for whether a given formula unit will form a solid electride at ambient pressure, quantifies the effects of Electron–Electron correlation on confined Electrons’ interactions, and highlights analogies between covalent bonding and the interaction of interstitial quasi-atoms in high-pressure electrides. These results motivate adding the EDR to the toolbox of theoretical methods applied to electrides.