Jiake Fan

nanjing university of science & technology

H指数:7

被引数:195

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Efficient NO electroreduction via MoN2 based on Mars-van-Krevelen mechanism: a novel design approach

基于Mars-van-Krevelen机制的MoN2高效电催化NO还原：一种新颖的设计方法

Journal of Molecular Modeling

IF2.5

2026-05-120

PRE

Investigating the Response Mechanism of Mechanical Properties in PA 66 Industrial Fibers to Posttreatment Temperatures

研究PA 66工业纤维力学性能对后处理温度的响应机制

Journal of Applied Polymer Science

IF2.8

2026-04-180

PRE

Fatigue Behavior and Multiscale Structural Evolution of Polyamide 66 Industrial Fiber Under Cyclic Loading

POLYMER ENGINEERING AND SCIENCE

IF3.2

2025-12-010

PRE

Reactive molecular dynamics study on hot-spots formation and thermal decompositions of defect-contained β-HMX crystals: Influence of different types and concentrations of liquid inclusion defects

含缺陷β-HMX晶体的热点形成与热分解的响应分子动力学研究：不同类型和浓度的液体夹杂物缺陷的影响

CrystEngComm

IF2.6

2025-11-200

PRE

Heteronuclear double transition metal synergistic regulation of nitric oxide electroreduction reaction

异核双过渡金属协同调控一氧化氮电还原反应

International Journal of Hydrogen Energy

IF8.3

2025-10-150

PRE

Regulating the catalytic performance of monolayer transition metal dichalcogenides for chlorine evolution reaction through strain engineering: A study of DFT and Machine learning

通过应变工程调控单层过渡金属硫族化合物氯气演化反应催化性能：一项DFT与机器学习研究

Molecular Catalysis

IF4.9

2025-06-140

PRE

Accelerating design of phthalocyanine-based catalysts for electrocatalytic reduction of nitric oxide: A DFT and machine learning study

加速设计用于电催化还原一氧化氮的酞菁基催化剂：一项DFT和机器学习研究

COMPUTATIONAL AND THEORETICAL CHEMISTRY

IF2.8

2025-06-010

PRE

Transition metal-anchored BN tubes as single-atom catalysts for NO reduction reaction: A study of DFT and deep learning

FUEL

IF7.5

2025-04-010

PRE

Single atom decorated wavy antimony nitride for nitric oxide degradation: A first-principles and machine learning study

FUEL

IF7.5

2025-01-010

PRE

Thermal Decomposition of Core-Shell-Structured RDX@AlH3, HMX@AlH3, and CL-20@AlH3 Nanoparticles: Reactive Molecular Dynamics Simulations

NANOMATERIALS

IF4.3

2024-11-200

OAAI

Unusual C-N coupling mechanism via NO dimerization for the electrochemical synthesis of urea on transition metal dimers supported by two-dimensional expanded phthalocyanine

通过NO二聚作用在二维膨胀酞菁支撑的过渡金属二聚体上电化学合成尿素的异常c-n偶联机理

MOLECULAR CATALYSIS

IF4.9

2024-11-010

PRE

Electrode Materials for NO Electroreduction Based on Dithiolene Metal-Organic Frameworks: A Theoretical Study

CATALYSTS

IF4

2024-10-211

An effective descriptor for identifying the electrocatalytic activity and selectivity of bilayer carbon-based heterojunction catalysts

CARBON

IF11.6

2024-03-011

PRE

Low-dimensional lateral heterojunctions made of hexagonal boron nitride and carbon materials as efficient electrocatalysts for the chlorine evolution reaction: a study of DFT and machine learning

JOURNAL OF MATERIALS CHEMISTRY A

IF9.5

2024-01-011

PRE

Identifying non-proton-coupled electron transfer as a potential limiting step for the electrosynthesis of ammonia

JOURNAL OF MATERIALS CHEMISTRY A

IF9.5

2024-01-010

PRE

Preparation of HNS microspheres by rapid membrane emulsification

PARTICUOLOGY

IF4.3

2023-08-019

PRE

Unveiling Sabatier principle for electrocatalytic nitric oxide reduction on single cluster catalysts: A DFT and machine learning guideline

揭示在单簇催化剂上电催化一氧化氮还原的Sabatier原理: DFT和机器学习指南

CHEMICAL ENGINEERING JOURNAL

IF13.2

2023-07-0129

PRE

Using ternary steric hindrance synergy of a defective MoS₂ monolayer to manipulate the electrocatalytic mechanism toward nitric oxide reduction: a first-principles and machine learning study

Journal of Materials Chemistry A

IF9.5

2023-01-0110

PRE

Crystal Structure and Noncovalent Interactions of Heterocyclic Energetic Molecules

杂环含能分子的晶体结构和非共价相互作用

MOLECULES

IF4.6

2022-08-047

OAAI

Jiake Fan

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