Stopping molecular rotation using coherent ultra-low-energy magnetic manipulations.

Abstract Rotational motion lies at the heart of intermolecular, molecule-surface chemistry and cold molecule science, motivating the development of methods to excite and de-excite rotations. Existing schemes involve perturbing the molecules with photons or electrons which supply or remove energy comparable to the rotational level spacing. Here, we study the possibility of de-exciting the molecular rotation of a D2 molecule, from a J=2 to the non-rotating J=0 state, without using an energy-matched perturbation. We show that a magnetic field which splits the rotational projection states by only pico eV, can change the probability that a molecule-surface collision will stop a molecule from rotating and lose rotational energy which is 9 orders larger than that of the magnetic manipulation. Calculations confirm the origin of the control scheme, but also underestimate rotational flips (Δm_J≠0), highlighting the importance of the results as a sensitive benchmark for further developing theoretical models of molecule-surface interactions.

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Molecule—surface collision-induced dissociation of internally excited NO2 on MgO(100)

Chemical Physics Letters ◽

10.1016/0009-2614(94)00299-1 ◽

1994 ◽

Vol 221 (5-6) ◽

pp. 447-452 ◽

Cited By ~ 7

Author(s):

H. Ferkel ◽

J.T. Singleton ◽

H. Reisler ◽

C. Wittig

Keyword(s):

Collision Induced Dissociation ◽

Surface Collision ◽

Molecule Surface

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Permutation invariant polynomial neural network approach to fitting potential energy surfaces. III. Molecule-surface interactions

The Journal of Chemical Physics ◽

10.1063/1.4887363 ◽

2014 ◽

Vol 141 (3) ◽

pp. 034109 ◽

Cited By ~ 81

Author(s):

Bin Jiang ◽

Hua Guo

Keyword(s):

Neural Network ◽

Potential Energy ◽

Potential Energy Surfaces ◽

Surface Interactions ◽

Invariant Polynomial ◽

Network Approach ◽

Neural Network Approach ◽

Polynomial Neural Network ◽

Energy Surfaces ◽

Molecule Surface

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Dynamics of Molecule/Surface Interactions

Reactions at Solid Surfaces ◽

10.1002/9780470535295.ch3 ◽

2010 ◽

pp. 51-77

Keyword(s):

Surface Interactions ◽

Molecule Surface

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Three-Dimensional Single Particle Tracking and Its Applications in Confined Environments

Annual Review of Analytical Chemistry ◽

10.1146/annurev-anchem-091819-100409 ◽

2020 ◽

Vol 13 (1) ◽

pp. 381-403

Author(s):

Yaning Zhong ◽

Gufeng Wang

Keyword(s):

Mass Transport ◽

Particle Tracking ◽

Single Particle ◽

Three Dimensional ◽

Surface Interactions ◽

Single Particle Tracking ◽

Confined Space ◽

Design And Optimization ◽

Chemical Recognition ◽

Molecule Surface

Single particle tracking (SPT) has proven to be a powerful technique in studying molecular dynamics in complicated systems. We review its recent development, including three-dimensional (3D) SPT and its applications in probing nanostructures and molecule-surface interactions that are important to analytical chemical processes. Several frequently used 3D SPT techniques are introduced. Especially of interest are those based on point spread function engineering, which are simple in instrumentation and can be easily adapted and used in analytical labs. Corresponding data analysis methods are briefly discussed. We present several important case studies, with a focus on probing mass transport and molecule-surface interactions in confined environments. The presented studies demonstrate the great potential of 3D SPT for understanding fundamental phenomena in confined space, which will enable us to predict basic principles involved in chemical recognition, separation, and analysis, and to optimize mass transport and responses by structural design and optimization.

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Four-dimensional quantum and two-dimensional classical mechanical study of molecule–surface interactions

The Journal of Chemical Physics ◽

10.1063/1.480536 ◽

2000 ◽

Vol 112 (8) ◽

pp. 3884-3889 ◽

Cited By ~ 17

Author(s):

Satrajit Adhikari ◽

Gert D. Billing

Keyword(s):

Surface Interactions ◽

Two Dimensional ◽

Mechanical Study ◽

Molecule Surface

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Modeling of Silicon Nanodots Nucleation and Growth Deposited by LPCVD on SiO2 : From Molecule/surface Interactions to Reactor Scale Simulations

MRS Proceedings ◽

10.1557/proc-0959-m17-12 ◽

2006 ◽

Vol 959 ◽

Author(s):

Ilyes Zahi ◽

Hugues Vergnes ◽

Brigitte Caussat ◽

Alain Esteve ◽

Mehdi Djafari Rouhani ◽

...

Keyword(s):

Chemical Vapor Deposition ◽

Vapor Deposition ◽

Deposition Time ◽

Chemical Vapor ◽

Surface Interactions ◽

Nucleation And Growth ◽

High Dilution ◽

First Results ◽

Pressure Chemical ◽

Molecule Surface

ABSTRACTWe present first results combining models at continuum and atomistic (DFT) levels to improve understanding of key mechanisms involved in silicon nanodots (NDs) synthesis on SiO2 by Low Pressure Chemical Vapor Deposition (LPCVD) from silane SiH4. In particular, by simulating an industrial LPCVD reactor using the CFD code Fluent, we find that the deposition time could be increased and then the reproducibility and uniformity of NDs deposition could be improved when highly diluting silane in a carrier gas. A consequence of this high dilution seems to be that the contribution to deposition of unsaturated species such as silylene SiH2 highly increases. This result is important since our first DFT calculations have shown that silicon chemisorption on silanol Si-OH or siloxane Si-O-Si bonds present on SiO2 substrates could only proceed from silylene (and probably from other unsaturated species). The silane saturated molecule could only contribute to NDs growth, i.e. silicon chemisorption on already deposited silicon bonds. Increasing silylene contribution to deposition in highly diluting silane could then also exalt silicon nucleation on SiO2 substrates and then increase NDs density.

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Laser Investigations of the Dynamics of Molecule-Surface Interaction

MRS Proceedings ◽

10.1557/proc-29-243 ◽

1983 ◽

Vol 29 ◽

Cited By ~ 3

Author(s):

J. Hager ◽

H. Walther

Keyword(s):

Energy Distribution ◽

Surface Temperature ◽

Velocity Distribution ◽

Average Velocity ◽

Boltzmann Distribution ◽

Rotational Energy ◽

Solid Surfaces ◽

Measured Velocity ◽

Small Influence ◽

Molecule Surface

ABSTRACTThe internal energy distribution of NO molecules scattered from different solid surfaces (Pt(111), graphite, and Pt(111) covered with various adlayers) was investigated by the laser-induced fluorescence method. In the case of the NO/graphite system, moreover, the velocity distribution of the scattered molecules could be measured in a time-offlight experiment. The rotational energy distribution, which can always be described as a Boltzmann distribution, exhibits only partial accommodation to the surface temperature for all surfaces investigated. The measurements of the velocity of the NO molecules scattered from the graphite surface show only a small influence of the surface temperature on the average velocity and on the velocity distribution. Furthermore, the measured velocity distribution is independent of the final rotational state of the scattered molecules. On the basis of these results, a rather complete description of the behavior of the NO molecules during the scattering process can be presented.

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