高教深耕計畫

• 新進/年輕教師學術研究補助-簡思佳
  1110101~1111220
  

國科會計畫統計

• 使用電腦輔助計算方法探討沸石孔洞結構的生成機制
  1170801~1180731
  

• 使用電腦輔助計算方法探討沸石孔洞結構的生成機制
  1160801~1170731
  

• 使用電腦輔助計算方法探討沸石孔洞結構的生成機制
  1150801~1160731
  

• 利用分子模擬提升孔洞材料的表面積與孔徑分佈計算之準確度
  1150801~1160731
  

• 使用電腦輔助計算方法探討沸石孔洞結構的生成機制
  1140801~1150731
  

• 利用分子模擬提升孔洞材料的表面積與孔徑分佈計算之準確度
  1140801~1150731
  

• 利用分子模擬提升孔洞材料的表面積與孔徑分佈計算之準確度
  1130801~1140731
  

• 利用分子模擬與第一原理計算開發表面功能化二維凡得瓦材料與異質結構於熱電材料的應用
  1121101~1131031
  [二維材料,熱電材料,二維異質結構,分子動力學,密度泛函理論 , 2D materials,thermoelectric materials,2D vdW heterostructures,molecular dynamics,density functional theory]

• 利用分子模擬與第一原理計算開發表面功能化二維凡得瓦材料與異質結構於熱電材料的應用
  1111101~1121031
  [二維材料,熱電材料,二維異質結構,分子動力學,密度泛函理論 , 2D materials,thermoelectric materials,2D vdW heterostructures,molecular dynamics,density functional theory]

• 利用分子模擬與第一原理計算開發表面功能化二維凡得瓦材料與異質結構於熱電材料的應用
  1101101~1111031
  [二維材料,熱電材料,二維異質結構,分子動力學,密度泛函理論 , 2D materials,thermoelectric materials,2D vdW heterostructures,molecular dynamics,density functional theory]

期刊著作

• Surface area determination of porous materials: a weighted-average BET approach
  Journal of the Taiwan Institute of Chemical Engineers, 2025-07-26
  [ metal‐organic frameworks,adsorption,Monte Carlo simulation ]

• Synergistic effects of carbon and nitrogen vacancies in carbon nitride for photocatalytic H2 production and tetracycline oxidation
  Separation and Purification Technology, 354, 2025-02-19
  [ g-C3N4,H2 evolution,Photocatalysis,Tetracycline,Vacancy ]

• Designing 2D Janus Zr2CTX MXenes for anode materials in lithium-ion batteries
  Journal of the Taiwan Institute of Chemical Engineers, 167, 2025-02-01
  [ 2D materials,DFT,Lithium-ion batteries,M2CX2 MXenes,Zr-based MXenes ]

• Four-State Electrochromism in Tris(4-aminophenyl)amine- terephthalaldehyde-based Covalent Organic Framework
  Angewandte Chemie - International Edition, 64, 4, 2025-01-21
  [ Covalent organic framework (COF),electrochromic device,four-state electrochromism,gel-polymer electrolyte,TAPA-PDA ]

• Temperature effects on lithium/sodium-ion storage behaviors of hard carbon microspheres derived from phenolic resin as potential anode for rechargeable batteries applications
  Journal of the Taiwan Institute of Chemical Engineers, 164, 2024-11-01
  [ Anode materials,Hard carbon,Li ion batteries,Na ion batteries,Phenolic resin,Theoretical calculations ]

• 3D-printed Al2O3 framework supported carbon-bridged tri-s-triazine of g-C3N4 for photocatalytic tetracycline oxidation
  Chemical Engineering Journal, 487, 2024-05-01
  [ Carbon-bridged g-C3N4,Ceramic 3D printing,Photocatalysis,Tetracycline ]

• A memory-rich conjugated microporous polymer-based electrochromic framework through two-in-one metal catalyst free route
  Chemical Engineering Journal, 484, 2024-03-15
  [ 2D conjugated microporous polymer,Electrochromic devices,Gel-polymer electrolyte,Metal-catalyst free,Porous organic frameworks,Schiff-base condensation ]

• Modeling solid solute solubility in supercritical carbon dioxide by machine learning algorithms using molecular sigma profiles
  Journal of Molecular Liquids, 395, 2024-02-01
  [ Deep neural network,Molecular sigma profile,Prediction,Random forest,Solid solute solubility,Supercritical carbon dioxide ]

• Understanding the efficacy of concentrated interstitial carbon in enhancing the pitting corrosion resistance of stainless steel; response to Further Comment by Martin et al.
  Scripta Materialia, 237, 2023-12-01

• Design of Nanoporous Materials as Reverse Osmosis Membranes for Boron Removal: Pore Shape Matters
  Journal of Physical Chemistry C, 127, 44, 21740-21748, 2023-11-09

• Interstitial elements created via metal 3D printing
  Materials Today, 66, 92-104, 2023-06-01
  [ 3D printing,Additive manufacturing,Interstitial atoms,Laser powder bed fusion,Stainless steel ]

• Inverse CO2/C2H2 Separation with MFU-4 and Selectivity Reversal via Postsynthetic Ligand Exchange
  Angewandte Chemie - International Edition, 62, 18, 2023-04-24
  [ Acetylene,CO2,Inverse Separation,Metal–Organic Frameworks,Molecular Sieving ]

• Understanding the efficacy of concentrated interstitial carbon in enhancing the pitting corrosion resistance of stainless steel; response to Comment by Martin et al.
  Scripta Materialia, 224, 2023-02-01

• Free-Energy Parameterization and Thermodynamics in Si–Ge–Sn Alloys
  Physica Status Solidi (B): Basic Research, 2022-01-01

• Understanding the efficacy of concentrated interstitial carbon in enhancing the pitting corrosion resistance of stainless steel
  Acta Materialia, 221, 2021-12-01

• Electrochemical metrics for corrosion resistant alloys
  Scientific data, 8, 1, 2021-02-11

• Bond synergy model for bond energies in alloy oxides
  Journal of the Electrochemical Society, 167, 14, 2020-11-01

• Influence of Surface Chemistry on Water Absorption in Functionalized Germanane
  Chemistry of Materials, 32, 4, 1537-1544, 2020-02-25

• Ferromagnetic Epitaxial μ-Fe2O3 on β-Ga2O3: A New Monoclinic Form of Fe2O3
  Crystal Growth and Design, 19, 8, 4205-4211, 2019-08-07

• Excimer-Mediated Intermolecular Charge Transfer in Self-Assembled Donor-Acceptor Dyes on Metal Oxides
  Journal of the American Chemical Society, 141, 22, 8727-8731, 2019-06-05

• Aggregation Behavior of Inorganic 2D Nanomaterials beyond Graphene: Insights from Molecular Modeling and Modified DLVO Theory
  Environmental Science & Technology, 53, 8, 4161-4172, 2019-04-16

• Decoupling pH dependence of flat band potential in aqueous dye-sensitized electrodes
  Journal of Physical Chemistry C, 123, 14, 8681-8687, 2019-04-11

• Bioinspired Metal-Organic Framework for Trace CO2 Capture
  Journal of the American Chemical Society, 140, 40, 12662-12666, 2018-10-10

• Molecular Simulations of the Synthesis of Periodic Mesoporous Silica Phases at High Surfactant Concentrations
  Journal of Physical Chemistry C, 121, 8, 4564-4575, 2017-03-02

• Multiscale Model for the Templated Synthesis of Mesoporous Silica: The Essential Role of Silica Oligomers
  Chemistry of Materials, 28, 8, 2715-2727, 2016-05-10

• Reactive Ensemble Monte Carlo Simulations of Silica Polymerization That Yield Zeolites and Related Crystalline Microporous Structures
  Journal of Physical Chemistry C, 119, 47, 26628-26635, 2015-11-25

• Modeling the self-assembly of silica-templated nanoparticles in the initial stages of zeolite formation
  Langmuir, 31, 17, 4940-4949, 2015-05-05

• Synthesis and characterization of silver indium diselenide thin films prepared via the sol-gel assisted process
  International Journal of Applied Ceramic Technology, 9, 4, 861-867, 2012-07-01

• Sol-gel assisted preparation and characterization of silver indium diselenide powders
  Journal of Alloys and Compounds, 509, 36, 8927-8932, 2011-09-08
  [ AgInSe2,Chalcopyrite,Sol-gel ]