Maodu Chen
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View article: A Neural Network Potential Energy Surface and Quantum Dynamics Study of Ca(<sup>1</sup>S) + H<sub>2</sub>(<i>v</i><sub>0</sub> = 0, <i>j</i><sub>0</sub> = 0) → CaH + H Reaction
A Neural Network Potential Energy Surface and Quantum Dynamics Study of Ca(<sup>1</sup>S) + H<sub>2</sub>(<i>v</i><sub>0</sub> = 0, <i>j</i><sub>0</sub> = 0) → CaH + H Reaction Open
The reactive collision between Ca and H2 molecules has attracted great interest experimentally due to the key role of the product CaH molecule in the field of astrophysics and cold molecules. However, quantum dynamics calculations for this…
View article: Globally Accurate Gaussian Process Potential Energy Surface and Quantum Dynamics Studies on the Li(2S) + Na2 → LiNa + Na Reaction at Low Collision Energies
Globally Accurate Gaussian Process Potential Energy Surface and Quantum Dynamics Studies on the Li(2S) + Na2 → LiNa + Na Reaction at Low Collision Energies Open
The LiNa2 reactive system has recently received great attention in the experimental study of ultracold chemical reactions, but the corresponding theoretical calculations have not been carried out. Here, we report the first globally accurat…
View article: A globally accurate potential energy surface and quantum dynamics calculations on the Be(1S) + H2(v0 = 0, j0 = 0) → BeH + H reaction
A globally accurate potential energy surface and quantum dynamics calculations on the Be(1S) + H2(v0 = 0, j0 = 0) → BeH + H reaction Open
The reactive collision between Be atom and H 2 molecule has received great interest both experimentally and theoretically due to its significant role in hydrogen storage, astrophysics, quantum chemistry and other fields, but the correspond…
View article: Wave Packet Approach to Adiabatic and Nonadiabatic Dynamics of Cold Inelastic Scatterings
Wave Packet Approach to Adiabatic and Nonadiabatic Dynamics of Cold Inelastic Scatterings Open
Due to the extremely large de Broglie wavelength of cold molecules, cold inelastic scattering is always characterized by the time-independent close-coupling (TICC) method. However, the TICC method is difficult to apply to collisions of lar…
View article: Quantum Wave Packet Treatment of Cold Nonadiabatic Reactive Scattering at the State-To-State Level
Quantum Wave Packet Treatment of Cold Nonadiabatic Reactive Scattering at the State-To-State Level Open
Cold and ultracold collisions are dominated by quantum effects, such as resonances, tunneling, and nonadiabatic transitions between different electronic states. Due to the extremely long de Broglie wavelength in such processes, quantum rea…
View article: Confined Monolayer Ice Between CaF2 (111) and Graphene: Structure and Stability
Confined Monolayer Ice Between CaF2 (111) and Graphene: Structure and Stability Open
Water monolayer can form in layered confined systems. Here, CaF 2 (111) and graphene are chosen as modeling systems to explore the structure and stability of confined monolayer water. First, water molecules tend to intercalate into a confi…
View article: Inelastic, exchange, and reactive processes in rovibrationally excited collisions of HD with H
Inelastic, exchange, and reactive processes in rovibrationally excited collisions of HD with H Open
The HD molecule is an important coolant in early universe chemistry models and a tracer of H2 in star-forming regions. Rate coefficients for collisional excitation and de-excitation of HD rotational and vibrational levels form important in…
View article: Noble Metallic Pyramidal Substrate for Surface-Enhanced Raman Scattering Detection of Plasmid DNA Based on Template Stripping Method
Noble Metallic Pyramidal Substrate for Surface-Enhanced Raman Scattering Detection of Plasmid DNA Based on Template Stripping Method Open
In this paper, a new method for manufacturing flexible and repeatable sensors made of silicon solar cells is reported. The method involves depositing the noble metal film directly onto the Si template and stripping out the substrate with a…
View article: Optical characterizations of two-dimensional materials using nonlinear optical microscopies of CARS, TPEF, and SHG
Optical characterizations of two-dimensional materials using nonlinear optical microscopies of CARS, TPEF, and SHG Open
In this paper, we employ the nonlinear optical microscopies of coherent anti-Stokes Raman scattering spectroscopy, two-photon excitation fluorescence, and second harmonic generation to characterize the properties of two-dimensional (2D) ma…
View article: Correction: Global diabatic potential energy surfaces for the BeH<sub>2</sub><sup>+</sup> system and dynamics studies on the Be<sup>+</sup>(<sup>2</sup>P) + H<sub>2</sub>(X<sup>1</sup>Σ<sub>g</sub><sup>+</sup>) → BeH<sup>+</sup>(X<sup>1</sup>Σ<sup>+</sup>) + H(<sup>2</sup>S) reaction
Correction: Global diabatic potential energy surfaces for the BeH<sub>2</sub><sup>+</sup> system and dynamics studies on the Be<sup>+</sup>(<sup>2</sup>P) + H<sub>2</sub>(X<sup>1</sup>Σ<sub>g</sub><sup>+</sup>) → BeH<sup>+</sup>(X<sup>1</sup>Σ<sup>+</sup>) + H(<sup>2</sup>S) reaction Open
Correction for ‘Global diabatic potential energy surfaces for the BeH2+ system and dynamics studies on the Be+(2P) + H2(X1Σg+) → BeH+(X1Σ+) + H(2S) reaction’ by Zijiang Yang et al., RSC Adv., 2018, 8, 22823–22834.
View article: Global diabatic potential energy surfaces for the BeH<sub>2</sub><sup>+</sup> system and dynamics studies on the Be<sup>+</sup>(<sup>2</sup>P) + H<sub>2</sub>(X<sup>1</sup>Σ<sub>g</sub><sup>+</sup>) → BeH<sup>+</sup>(X<sup>1</sup>Σ<sup>+</sup>) + H(<sup>2</sup>S) reaction
Global diabatic potential energy surfaces for the BeH<sub>2</sub><sup>+</sup> system and dynamics studies on the Be<sup>+</sup>(<sup>2</sup>P) + H<sub>2</sub>(X<sup>1</sup>Σ<sub>g</sub><sup>+</sup>) → BeH<sup>+</sup>(X<sup>1</sup>Σ<sup>+</sup>) + H(<sup>2</sup>S) reaction Open
The first global diabatic potential energy surfaces for the Be+(2P) + H2(X1Σg+) → BeH+(X1Σ+) + H(2S) reaction are constructed.
View article: Quantum rotational scattering of H<sub>2</sub> and its isotopologues with He
Quantum rotational scattering of H<sub>2</sub> and its isotopologues with He Open
Quantum close-coupling computations of the rotational quenching of H2 and its isotopologues due to He impact are performed using a highly accurate potential energy surface. State-to-state cross sections are obtained in a wide range of coll…
View article: Surface-enhanced Raman scattering of pyrazine on Au<sub>5</sub>Al<sub>5</sub> bimetallic nanoclusters
Surface-enhanced Raman scattering of pyrazine on Au<sub>5</sub>Al<sub>5</sub> bimetallic nanoclusters Open
In this study, we theoretically investigated the Raman and absorption spectra of pyrazine adsorbed on Au5Al5 bimetallic nanoclusters by a time-dependent density functional theory (TD-DFT) method.
View article: A new potential energy surface for the ground state of the LiH<sub>2</sub><sup>+</sup>system and dynamic studies on LiH<sup>+</sup>(X<sup>2</sup>Σ<sup>+</sup>) + H(<sup>2</sup>S) → Li<sup>+</sup>(<sup>1</sup>S) + H<sub>2</sub>(X<sup>1</sup>Σ+g)
A new potential energy surface for the ground state of the LiH<sub>2</sub><sup>+</sup>system and dynamic studies on LiH<sup>+</sup>(X<sup>2</sup>Σ<sup>+</sup>) + H(<sup>2</sup>S) → Li<sup>+</sup>(<sup>1</sup>S) + H<sub>2</sub>(X<sup>1</sup>Σ+g) Open
An accurate potential energy surface for the ground state of the LiH2+system is constructed with the neural network method.
View article: A global potential energy surface and dynamics study of the Au<sup>+</sup> + H<sub>2</sub> → H + Au<sup>+</sup>H reaction
A global potential energy surface and dynamics study of the Au<sup>+</sup> + H<sub>2</sub> → H + Au<sup>+</sup>H reaction Open
A global potential energy surface (PES) of the ground state of the Au+H2 system was constructed using a neural network method with permutation invariant polynomials.