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  • AIP Publishing  (12)
  • Asia - CrossAsia  (12)
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  • AIP Publishing  (12)
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  • Asia - CrossAsia  (12)
  • 1
    Online Resource
    Online Resource
    Imaging the dissociation dynamics of Si2+ via two-photon excitation at 193 nm
    AIP Publishing ; 2019
    In:  Chinese Journal of Chemical Physics Vol. 32, No. 1 ( 2019-02-01), p. 129-133
    Details
    In: Chinese Journal of Chemical Physics, AIP Publishing, Vol. 32, No. 1 ( 2019-02-01), p. 129-133
    Abstract: In the one-color experiment at 193 nm, we studied the photodissociation of Si2+ ions prepared by two-photon ionization using the time-sliced ion velocity map imaging method. The Si+ imaging study shows that Si2+ dissociation results in two distinct channels: Si(3Pg)+Si+(2Pu) and Si(1D2)+Si+(2Pu). The main channel Si(3Pg)+Si+(2Pu) is produced by the dissociation of the Si2+ ions in more than one energetically available excited electronic state, which are from the ionization of Si2(v=0−5). Particularly, the dissociation from the vibrationally excited Si2(v=1) shows the strongest signal. In contrast, the minor Si(1D2)+Si+(2Pu) channel is due to an avoided crossing between the two 2Πg states in the same symmetry. It has also been observed the one-photon dissociation of Si2+(X4Σg−) into Si(1D2)+Si+(2Pu) products with a large kinetic energy release.
    Type of Medium: Online Resource
    ISSN: 1674-0068 , 2327-2244
    URL: Article
    DOI: 10.1063/1674-0068/cjcp1901011
    Language: English
    Publisher: AIP Publishing
    Publication Date: 2019
    detail.hit.zdb_id: 2381472-X
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  • 2
    Online Resource
    Online Resource
    Laser Ablation Atomic Beam Apparatus with Time-Sliced Velocity Map Imaging for Studying State-to-State Metal Reaction Dynamics
    AIP Publishing ; 2016
    In:  Chinese Journal of Chemical Physics Vol. 29, No. 1 ( 2016-02-27), p. 99-104
    Details
    In: Chinese Journal of Chemical Physics, AIP Publishing, Vol. 29, No. 1 ( 2016-02-27), p. 99-104
    Abstract: We report a newly constructed laser ablation crossed molecular beam apparatus, equipped with time-sliced velocity map imaging technique, to study state-to-state metal atom reaction dynamics. Supersonic metal atomic beam is generated by laser vaporization of metal rod, and free expansion design without gas flow channel has been employed to obtain a good quality of metal atomic beam. We have chosen the crossed-beam reaction Al+O2 to test the performance of the new apparatus. Two-rotational-states selected AlO(X2∑+, v=0, N and N+14) products can be imaged via P(N) and R(N+14) branches of the Δv=1 band at the same wavelength, during (1+1) resonance-enhanced multi-photon ionization through the AlO(D2∑+) intermediate state. In our experiment at 244.145 nm for simultaneous transitions of P(15) and R(29) branch, two rings in slice image were clearly distinguishable, corresponding to the AlO(v=0, N=15) and AlO(v=0, N=29) states respectively. The energy difference between the two rotational levels is 403 cm−1. The success of two states resolved in our apparatus suggests a better collisional energy resolution compared with the recent research study [J. Chem. Phys. 140, 214304 (2014)].
    Type of Medium: Online Resource
    ISSN: 1674-0068 , 2327-2244
    URL: Article
    DOI: 10.1063/1674-0068/29/cjcp1512261
    Language: English
    Publisher: AIP Publishing
    Publication Date: 2016
    detail.hit.zdb_id: 2381472-X
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  • 3
    Online Resource
    Online Resource
    Imaging photodissociation dynamics of MgO at 193 nm
    AIP Publishing ; 2022
    In:  Chinese Journal of Chemical Physics Vol. 35, No. 2 ( 2022-04-01), p. 257-262
    Details
    In: Chinese Journal of Chemical Physics, AIP Publishing, Vol. 35, No. 2 ( 2022-04-01), p. 257-262
    Abstract: In this work, we used time-sliced ion velocity imaging to study the photodissociation dynamics of MgO at 193 nm. Three dissociation pathways are found through the speed and angular distributions of magnesium. One pathway is the one-photon excitation of MgO(X1Σ+) to MgO(G1Π) followed by spin-orbit coupling between the G1Π, 33Π and 15Π states, and finally dissociated to the Mg(3Pu)+O(3Pg) along the 15Π surface. The other two pathways are one-photon absorption of MgO(A1Π) state to MgO(G1Π) and MgO(41Π) state to dissociate into Mg(3Pu)+O(3Pg) and Mg(1Sg)+O(1Sg), respectively. The anisotropy parameters of the dissociation pathways are related to the lifetime of the vibrational energy levels and the coupling of rotational and vibronic spin-orbit states. The total kinetic energy analysis gives D0(Mg−O)=21645±50 cm−1.
    Type of Medium: Online Resource
    ISSN: 1674-0068 , 2327-2244
    URL: Article
    DOI: 10.1063/1674-0068/cjcp2112272
    Language: English
    Publisher: AIP Publishing
    Publication Date: 2022
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  • 4
    Online Resource
    Online Resource
    Imaging reaction dynamics of Y+SO2
    AIP Publishing ; 2020
    In:  Chinese Journal of Chemical Physics Vol. 33, No. 2 ( 2020-04-01), p. 239-242
    Details
    In: Chinese Journal of Chemical Physics, AIP Publishing, Vol. 33, No. 2 ( 2020-04-01), p. 239-242
    Abstract: The reaction dynamics of yttrium atoms with sulfur dioxide molecules at a high collision energy of 36 kcal/mol was studied using time-sliced velocity map ion imaging, crossed molecular beam and laser-ablation method. The product YO was detected via multiphoton ionization at various wavelengths in the region of 482–615 nm. The slice images of YO show a broad velocity distribution and forward-backward peaking angular distribution. The forward scattering signal is stronger than its backward distribution. This indicates that the reaction proceeds via an intermediate complex and the lifetime of the intermediate state is less than one rotational period. The formation of complex suggests that electron transfer occurs in the oxidation reaction.
    Type of Medium: Online Resource
    ISSN: 1674-0068 , 2327-2244
    URL: Article
    DOI: 10.1063/1674-0068/cjcp2002029
    Language: English
    Publisher: AIP Publishing
    Publication Date: 2020
    detail.hit.zdb_id: 2381472-X
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  • 5
    Online Resource
    Online Resource
    Advanced techniques for quantum-state specific reaction dynamics of gas phase metal atoms
    AIP Publishing ; 2021
    In:  Chinese Journal of Chemical Physics Vol. 34, No. 1 ( 2021-02-01), p. 61-70
    Details
    In: Chinese Journal of Chemical Physics, AIP Publishing, Vol. 34, No. 1 ( 2021-02-01), p. 61-70
    Abstract: One of the themes of modern molecular reaction dynamics is to characterize elementary chemical reactions from “quantum state to quantum state”, and the study of molecular reaction dynamics in excited states can help test the validity of modern chemical theories and provide methods to control chemical reactions. The subject of this review is to describe the recent experimental techniques used to study the reaction dynamics of metal atoms in the gas phase. Through these techniques, information such as the internal energy distribution and angular distribution of the nascent products or the three-dimensional stereodynamic reactivity can be obtained. In addition, by preparing metal atoms with specific excited electronic states or orbital arrangements, information about the reactivity of the electronic states enriches the relevant understanding of the electron transfer mechanism in metal reaction dynamics.
    Type of Medium: Online Resource
    ISSN: 1674-0068 , 2327-2244
    URL: Article
    DOI: 10.1063/1674-0068/cjcp2102026
    Language: English
    Publisher: AIP Publishing
    Publication Date: 2021
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  • 6
    Online Resource
    Online Resource
    Photodissociation dynamics of AlO at 193 nm using time-sliced ion velocity imaging
    AIP Publishing ; 2020
    In:  Chinese Journal of Chemical Physics Vol. 33, No. 5 ( 2020-10-01), p. 649-652
    Details
    In: Chinese Journal of Chemical Physics, AIP Publishing, Vol. 33, No. 5 ( 2020-10-01), p. 649-652
    Abstract: The photodissociation dynamics of AlO at 193 nm is studied using time-sliced ion velocity mapping. Two dissociation channels are found through the speed and angular distributions of aluminum ions: one is one-photon dissociation of the neutral AlO to generate Al(2Pu)+O(3Pg), and the other is two-photon ionization and then dissociation of AlO+ to generate Al+(1Sg)+O(3Pg). Each dissociation channel includes the contribution of AlO in the vibrational states v=0-2. The anisotropy parameter of the neutral dissociation channel is more dependent on the vibration state of AlO than the ion dissociation channel.
    Type of Medium: Online Resource
    ISSN: 1674-0068 , 2327-2244
    URL: Article
    DOI: 10.1063/1674-0068/cjcp2007118
    Language: English
    Publisher: AIP Publishing
    Publication Date: 2020
    detail.hit.zdb_id: 2381472-X
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  • 7
    Online Resource
    Online Resource
    Theoretical Analysis on Fully Differential Cross-Sections for C 6+ Single Ionization of Helium
    AIP Publishing ; 2014
    In:  Chinese Journal of Chemical Physics Vol. 27, No. 3 ( 2014-06-27), p. 279-284
    Details
    In: Chinese Journal of Chemical Physics, AIP Publishing, Vol. 27, No. 3 ( 2014-06-27), p. 279-284
    Type of Medium: Online Resource
    ISSN: 1674-0068 , 2327-2244
    URL: Article
    DOI: 10.1063/1674-0068/27/03/279-284
    Language: English
    Publisher: AIP Publishing
    Publication Date: 2014
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  • 8
    Online Resource
    Online Resource
    Melting Mechanism and Structure Evolution of Au Nanofilms Explored by Molecular Dynamics Simulations
    AIP Publishing ; 2015
    In:  Chinese Journal of Chemical Physics Vol. 28, No. 5 ( 2015-10-27), p. 623-629
    Details
    In: Chinese Journal of Chemical Physics, AIP Publishing, Vol. 28, No. 5 ( 2015-10-27), p. 623-629
    Abstract: The melting mechanism and structure evolution of two-dimensional Au nanofilms with different thicknesses have been investigated in detail by using classical molecular dynamics simulations. The simulation results demonstrate that all Au nanofilms display a two-stage melting behavior of surface premelting and homogenous melting. Furthermore, the premelting behavior only occurs in the outermost layers but the other inner layers always keep a stable solid state until the corresponding melting point, which is different from the premelting behavior from surface into the interior in zero-dimensional Au nanocluster and one-dimensional Au nanowire. Meanwhile, the increase of nanofilm thickness can lead to an increase of melting point. During the premelting process, the surface reconstruction from the {100} plane to the {111} plane has directly been observed at a atomic level for all Au nanofilms. However even for the thinnest L2 nanofilm, the surface stress can't induce such surface reconstruction until temperature is up to 500 K, while similar surface reconstruction induced by surface stress can be observed at much lower temperature for the Au nanowire due to its higher surface-to-volume ratios compared to the Au nanofilm. In addition, our simulation results show that the thinnest Au nanofilm with two atomic layers can be broken into independent one-dimensional nanowires when the temperature reaches a certain value.
    Type of Medium: Online Resource
    ISSN: 1674-0068 , 2327-2244
    URL: Article
    DOI: 10.1063/1674-0068/28/cjcp1502011
    Language: English
    Publisher: AIP Publishing
    Publication Date: 2015
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  • 9
    Online Resource
    Online Resource
    Synthesis of Cumene from Lignin by Catalytic Transformation
    AIP Publishing ; 2017
    In:  Chinese Journal of Chemical Physics Vol. 30, No. 3 ( 2017-06-27), p. 348-356
    Details
    In: Chinese Journal of Chemical Physics, AIP Publishing, Vol. 30, No. 3 ( 2017-06-27), p. 348-356
    Type of Medium: Online Resource
    ISSN: 1674-0068 , 2327-2244
    URL: Article
    DOI: 10.1063/1674-0068/30/cjcp1703038
    Language: English
    Publisher: AIP Publishing
    Publication Date: 2017
    detail.hit.zdb_id: 2381472-X
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  • 10
    Online Resource
    Online Resource
    Rate coefficients and kinetic isotope effects of Cl+XCl→XCl+Cl (X=H, D, Mu) reactions from ring polymer molecular dynamics
    AIP Publishing ; 2021
    In:  Chinese Journal of Chemical Physics Vol. 34, No. 4 ( 2021-08-01), p. 453-461
    Details
    In: Chinese Journal of Chemical Physics, AIP Publishing, Vol. 34, No. 4 ( 2021-08-01), p. 453-461
    Abstract: The ring-polymer molecular dynamics (RPMD) was used to calculate the thermal rate coefficients and kinetic isotope effects of the heavy-light-heavy abstract reaction Cl+XCl→XCl+Cl (X=H, D, Mu). For the Cl+HCl reaction, the excellent agreement between the RPMD and experimental values provides a strong proof for the accuracy of the RPMD theory. And the RPMD results are also consistent with results from other theoretical methods including improved-canonical-variational-theory and quantum dynamics. The most novel finding is that there is a double peak in Cl+MuCl reaction near the transition state, leaving a free energy well. It comes from the mode softening of the reaction system at the peak of the potential energy surface. Such an explicit free energy well suggests strongly there is an observable resonance. And for the Cl+DCl reaction, the RPMD rate coefficient again gives very accurate results compared with experimental values. The only exception is at the temperature of 312.5 K, results from RPMD and all other theoretical methods are close to each other but slightly lower than the experimental value, which indicates experimental or potential energy surface deficiency.
    Type of Medium: Online Resource
    ISSN: 1674-0068 , 2327-2244
    URL: Article
    DOI: 10.1063/1674-0068/cjcp2007117
    Language: English
    Publisher: AIP Publishing
    Publication Date: 2021
    detail.hit.zdb_id: 2381472-X
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