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程新路 (Xinlu Cheng)

Sichuan University

34H-index
560Paper Count
5.5KCitation Count
Published Papers 102
Publication Date
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Correlation between band gap and Raman intensity
errphys. chem. chem. phys.
IF0
err2026-05-28
err0
PREAI
errSheng-Hai Zhu; Han Qin; Xinlu Cheng; Hong Zhang
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A theoretical study for the performance evaluation of two-dimensional Carbon Kagome Lattice as an anode material for lithium-ion batteries
errphys. chem. chem. phys.
IF0
err2026-05-01
err0
PREAI
errHaoxuan Chen; Zhenjie Zhao; Zihao Wang; Huadong Zeng; Xinlu Cheng
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Theoretical exploration of Orth-C14 as a potential candidate for the anode material of Li-ion batteries
errSurfaces and Interfaces
IF6.3
err2025-12-03
err0
PREAI
errHan Zhang; Zilin Chen; Huimin He; Qiuyan Lu; Huadong Zeng; Xinlu Cheng
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Interaction mechanism of RDX nanodefects under strong shock loading and the enhancement of hotspot temperature: A reactive atomistic perspective
errChemical Physics
IF2.4
err2025-12-01
err0
PREAI
errQin, Jiangyang; Zhang, Hong; Ma, Bo; Cheng, Xinlu
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Theoretical screening of bis(iminothiolato)metal monolayers as single-atom electrocatalysts for nitrogen reduction
errJ. Mater. Chem. A
IF9.5
err2025-09-06
err0
PREAI
errYao Su; Xinlu Cheng; Hong Zhang
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Strain-Driven Topological Phase Transition in the OsCl2 Ferrovalley Semiconductor
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2025-09-01
err0
PREAI
errLi, Jiaqi; Cheng, Xinlu; Zhang, Hong
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Molecular simulations of Poly-4-methyl-1-pentene (PMP) and PMP/Calix[4]arene (PMP/CA) for H2S/CO2 separation
errPOLYMER
IF4.5
err2025-05-01
err0
PREAI
errYou, Hua; Cheng, Xinlu
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Reactive rate coefficients and machine learning predictions for O(3P) + C2(X1Σg+) collisions on an accurate PIP-NN potential energy surface
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2025-02-13
err0
PREAI
errHuang, Xia; Wang, Guosen; Guo, Changmin; Cheng, Xinlu; Zhang, Hong
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Theoretical Study on the Infrared and Ultraviolet Spectroscopy of PO
errATOMIC DATA AND NUCLEAR DATA TABLES
IF4.1
err2025-02-01
err0
PREAI
errGuosen Wang; Chuanyu Zhang; Xinlu Cheng; Hong Zhang
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SnS2/covalent organic framework S-scheme heterostructures for photocatalytic water splitting: insights from ground-state properties and nonadiabatic excited-state dynamics
errJOURNAL OF MATERIALS CHEMISTRY A
IF9.5
err2025-01-01
err0
PREAI
errTang, Yue; Wang, Yipeng; Cheng, Xinlu; Zhang, Hong
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Strain and composition engineering of excited-state carrier recombination dynamics in GaAs/GaP and GaAs/AlAs superlattices: insights from time-domain nonadiabatic molecular dynamics simulations
errJOURNAL OF MATERIALS CHEMISTRY A
IF9.5
err2025-01-01
err0
PREAI
errTang, Yue; Wang, Yipeng; Cheng, Xinlu
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Rate coefficients for C and O2 reactive collisions relevant to interstellar clouds from QCT and machine learning
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-11-08
err0
PREAI
errHuang, Xia; Cheng, Xin-Lu; Zhang, Hong
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High-Throughput screening of TM1TM2/N6-1 (TM = Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Mo) as effective electrocatalysts for nitrogen fixation
errMOLECULAR CATALYSIS
IF4.9
err2024-11-01
err2
PREAI
errSu, Yao; Cheng, Xinlu; Zhang, Hong
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Theoretical study of infrared and ultraviolet spectroscopy in SiP interstellar molecules
errMONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY
IF4.8
err2024-07-08
err0
errOAAI
errWang, Guosen; Zhang, Chuanyu; Cheng, Xinlu; Zhang, Hong
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errSave
Strain and Electric Field Engineering of G-ZnO/SnXY (X, Y = S, Se) S-Scheme Heterostructures for Photocatalyst and Electronic Device Applications: A Hybrid DFT Calculation
errACS APPLIED MATERIALS & INTERFACES
IF8.2
err2024-05-16
err1
PREAI
errTang, Yue; Wang, YiPeng; Cheng, Xinlu; Zhang, Hong
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State-to-state dynamics and machine learning predictions of inelastic and reactive O(3P) + CO(1∑+) collisions relevant to hypersonic flows
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-05-02
err4
errOAAI
errHuang, Xia; Cheng, Xinlu
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Theoretical study on isostructural pressure-induced phase transition of solid ethane at extremely low temperature
errAPPLIED PHYSICS LETTERS
IF3.6
err2024-03-06
err0
PREAI
errZhu, Sheng-Hai; Cheng, Xin-Lu; Liu, Qi-Jun; Liu, Zheng-Tang
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Single Vanadium Atom Achored on Sulfur-Doped Graphene as an Efficient Electrocatalyst toward the Nitrogen Reduction Reaction: A Computational View
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2023-12-14
err0
PREAI
errTang, Yue; Wang, Yipeng; Cheng, Xinlu; Zhang, Hong
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Exhaustive state-specific dissociation study of the N2(1S+g) + N(4S) system using QCT combined with a neural network method
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-06-22
err5
PREAI
errGu, Kun-Ming; Zhang, Hong; Cheng, Xin-Lu
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Elastic and inelastic low-energy electron scattering from pyridine
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-01-09
err1
errOAAI
errSu, He; Cheng, Xinlu; Cooper, Bridgette; Tennyson, Jonathan; Zhang, Hong
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Research Directions

空间环境中原子分子与材料相互作用含能材料的原子分子设计极端条件下的原子分子过程与电子激发效应
Co-authors
Cooperation Journals
Á
Ángel Rubio
H-index: 128 · Papers: 1.3K
J
Jonathan Tennyson
H-index: 104 · Papers: 1.8K
彭
彭峰 (Feng Peng)
H-index: 83 · Papers: 594
Z
Zhi‐Pan Liu
H-index: 78 · Papers: 335
李晓东 cover
李晓东 (Xiaodong Li)
H-index: 64 · Papers: 717
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