2024 (7 articles, as of 06/30/2024)
123. 林立強*, “孔洞材料於能源與環境之相關應用前言”, 化工會刊, 71(3), 1, 2024.
122. Kao, Y.-C; Wang, Y.-M.; Yeh, J.-Y.; Li, S.-C., Wu, K.C.W*; Lin, L.-C.*, Li, Y.-P*, Tailoring Parameters for QM/MM Simulations: Accurate Modeling of Adsorption and Catalysis in Zirconium-Based Metal-Organic Frameworks, Phys. Chem. Chem. Phys, in press, 2024.
121. Wu, Y.-Y; Lin, L.-C.*, Adsorption-driven Reverse Osmosis Separation of Ethanol/Water Using Zeolite Nanosheets, Phys. Chem. Chem. Phys, in press, 2024.
120. Dong, Y.; Lyu, Q.; Lin, L.-C.; Violet C.; Lin, B.; Han Y.; Tang, C.; Yu H.-Q.; Elimelech M., Ultrastable Ceramic-based Metal–organic Framework Membranes with Missing Linkers for Robust Desalination, Nature Water, in press, 2024.
119. Silori, G.; Chien, S.-C.; Lin, L.-C.; Ho, K.-C.*, A Memory-Rich Conjugated Microporous Polymer-Based Electrochromic Framework Through Two-in-One Metal Catalyst Free Route, Chem. Eng. J., accepted, 2024.
118. Wang, Y.-M; Datar, A.; Xu, Z.-X.; Lin, L.-C.* In Silico Screening of Metal-organic Frameworks for Water Harvesting, J. Phys. Chem. C, 128, 384-395. 2024.
117. Lyu, Q.*; Lin, L.-C.* Rational Design of Reverse Osmosis Membranes for Boron Removal: A Counter-intuitive Relationship between Boron Rejection and Pore Size, Sep. Purif. Technol., 331, 125699. 2024.
2023 (13 articles or book chapters)
116. Ishan, P.; Lin, L.-C.; Chen, C.-C.; Howe, J.* Understanding Carbon Monoxide Binding and Interactions in M-MOF-74 (M = Mg, Mn, Ni, Zn), Langmuir, in press. 2023.
115. Huang, M.-Y.; Lyu, Q.*; Chien, S.-C.; Lin, L.-C.* Design of Nanoporous Materials as Reverse Osmosis Membranes for Boron Removal: Pore Shape Matters, J. Phys. Chem. C, 127, 21740-21748. 2023.
114. Chen, H.-C.; Lin, L.-C.* Computing Mixture Adsorption in Porous Materials through Flat Histogram Monte Carlo, Langmuir, 39, 15380-15390. 2023.
113. Wang, T.-Y.; Zou, C.; Lin, L.-C.* Asymmetric Nanoporous Membranes for Ethanol/Water Pervaporation Separation and their Design, Phys. Chem. Chem. Phys., 25, 27244-27249. 2023.
112. Xu, Z.; Wang, Y.; Lin, L.-C.*; Connectivity Analysis of Adsorption Sites in Metal-organic Frameworks for Facilitated Water Adsorption, ACS Appl. Mater. Interfaces, 15, 47081-47093, 2023.
111. Ma, S.; Zou, C.; Chen, T.-Y.; Paulson, J.; Lin, L.-C.*; Bakshi, B.*, Understanding Rapid PET Degradation via Reactive Molecular Dynamics Simulation and Kinetic Modeling, J. Phys. Chem. A, 127, 7323-7334, 2023.
110. Lin, M.-H.; Lin, L.-C.*, Simultaneously Probing Gaseous Diffusion and Adsorption Properties in Porous Materials Using Molecular Dynamics Simulations, J. Phys. Chem. C, 127, 17497-17507, 2023.
109. Sung, I.-T.; Lin, L.-C.*, In Silico Study of Metal-Organic Frameworks for CO2/CO Separation: Molecular Simulations and Machine Learning, J. Phys. Chem. C, 127, 13886-13899, 2023.
108. Torrones, G.G; Chen, Y.; Datar, A.; Lin, L.-C.; Kulik, H.J.; Chung, Y.G., I.-T.; Accessible Interface for Surface Area Calculation of Materials from Adsorption Isotherms, Journal of Open Source Software, 8(86), 5429, 2023.
107. Liu, Q.; Cho, S.G.; Hillard, J.; Wang, T.-H.; Chien, S.-C.; Lin, L.-C.; Co, A.; Wade, C.R.*, Inverse CO2/C2H2 Separation with MFU-4 and Selectivity Reversal via Postsynthetic Ligand Exchange, Angew. Chem. Int. Ed., 62, e202218854, 2023.
106. Datar, A.; Lyu, Q.; Lin, L.-C.*, Machine-learning-aided Discovery of Nanoporous Materials for Energy- and Environmental-related Applications, Book Chapter in "AI-Guided Design and Property Prediction for Zeolites and Nanoporous Materials", Wiley, 2023. (Link)
105. Hung, H.-L., Iizuka, T., Deng, X., Lyu, Q., Oe, N., Lin, L.-C.*, Hosono, N.*, Kang, D.-Y,* Engineering Gas Separation Property of Metal-organic Framework Membranes via Polymer Insertion, Sep. Purif. Technol., 310, 123115, 2023.
104. Chen, T.-Y.; Deng, X.; Lin, L.-C., Ho, W.S.W.*, 13C NMR Study of Amino Acid Salts in Facilitated Transport Membranes for Post-Combustion Carbon Capture, J. Membr. Sci., 671, 121309, 2023.
2022 (16 articles)
103. Deshpande, N.; Chen, J.-Y.; Kobayashi, T.; Cho, E. H.; Pineault, H; Lin, L.-C.; Brunelli. N*, Investigating the impact of micropore volume of aminosilica functionalized SBA-15 on catalytic activity for amine-catalyzed reactions, J. Catal., 414, 356-365 2022.
102. Datar, A.; Yoon, S.; Lin, L.-C.*; Chung. Y*, Brunauer-Emmett-Teller (BET) Areas from Nitrogen and Argon Isotherms are Similar, Langmuir, 38, 11631-11640, 2022.
101. Chiou, D.-H., Chuang, Y.-C., Chang, C.-K., Hsu, C.-H., Lin, L.-C., Kang, D.-Y.*, X-ray Diffraction for Probing Free Energy Profiles and Self-diffusivity of Gases in Metal-organic Frameworks, CrystEngComm, 24, 6302-6308, 2022.
100. Lai, J.-Y., Wang, T.-Y., Zou, C., Chen, J.-J.*, Lin, L.-C.*, Kang, D.-Y.*, Highly Selective MOF-303 Membrane for Alcohol Dehydration, J. Membr. Sci., 661, 120879, 2022.
99. Deng, X., Han, Y.*, Lin, L.-C.*, Ho, W.S.W.*, A New Measurement of Amine Steric Hindrance - N Exposure, Sep. Purif. Technol., 299, 121601, 2022.
98. Kang, D.-Y.*, Lee, J.-S.*, Lin, L.-C.*, X-Ray Diffraction and Molecular Simulations in the Study of Metal-Organic Frameworks for Membrane Gas Separation, Langmuir, 38, 9441–9453, 2022.
97. Lin, L.-C.*, Computational Study of Alkane Adsorption in Brønsted-acid Zeolites for More Efficient Alkane Cracking, Langmuir, 38, 7665–7677, 2022. *Invited Feature Article
96. Yang, C.-T.; Pandey, I.; Trinh, D.; Tong, T.; Chen, C.-C.; Howe, J.D.; Lin, L.-C.*, Deep Learning Neural Network Potential for Simulating Gaseous Adsorption in Metal-Organic Frameworks, Materials Advances, 3, 5299-5303, 2022.
95. 林立強*, “利用分子模擬協助發展最佳孔洞材料於空氣中水氣之捕捉”, 化工會刊, 69(2), 65-79, 2022.
94. Sun, C.; Lyu, Q.; Si, Y.; Tong, T.; Lin, L.-C.; Yang, F.; Tang, C.Y.; Dong, Y., Superhydrophobic Carbon Nanotube Network Membranes for Membrane Distillation: High-throughput Performance and Transport Mechanism, Environ. Sci. Technol., 56, 5775–5785, 2022.
93. Fu, M.; Deng, X.; Wang, S.-Q; Yang, F.; Lin, L.-C.*; Zaworotko, M.J.*; Dong, Y.*, Scalable Robust Nano-porous Zr-based MOF adsorbent with High-Capacity for Sustainable Water Purification, Sep. Purif. Technol., 288, 160620, 2022.
92. Datar, A.; Witman, M.; Lin, L.-C.*, Response to Comment on “Monte Carlo Simulations for Water Adsorption in Porous Materials: Best Practices and New Insights”, AIChE J., 68, e17684, 2022.
91. Deng, X.; Han, Y.*; Lin, L.-C.*; Ho, W.S.W.*, Computational Prediction of Water Sorption in Facilitated Transport Membranes, J. Phys. Chem. C, 126, 3661-3670, 2022.
90. Hung, T.-H.; Xu, Z.-H.; Kang, K.-Y.; Lin, L.-C.*, Chemistry-encoded Convolutional Neural Networks for Predicting Gaseous Adsorption in Porous Materials, J. Phys. Chem. C, 126, 2813-2822 2022.
89. Chen, T.-Y.; Deng, X.; Lin, L.-C., Ho, W.S.W.*, New Sterically Hindered Polyvinylamine-containing Membranes for CO2 Capture from Flue Gas, J. Membr. Sci., 645, 120195, 2022.
88. Wang, X.; Lyu, Q.; Tong, T.; Sun, K.; Lin, L.-C.; Tang, C.Y.; Yang, F.; Guiver, M.D.*; Quan, X.*; Dong, Y.*, Robust Ultrathin Nanoporous MOF Membrane with Intra-crystalline Defects for Fast Water Transport, Nature Communications, 13, 266, 2022.
2021 (14 articles)
87. Yang, C.-T.; Deng, X.; Lin, L.-C.*, In Silico Screening of Zeolites for Highly Selective Adsorption of Central C-C Bonds Toward More Effective Alkane Cracking, Ind. Eng. Chem. Res., 60, 15174-15183, 2021.
86. Datar, A.; Witman, M.; Lin, L.-C.*, Monte Carlo Simulations for Water Adsorption in Porous Materials: Best Practices and New Insights, AIChE J., 67, e17447, 2021.
85. Hung, T.-H.; Lyu, Q.; Lin, L.-C.* & Kang, K.-Y.*, Transport-Relevant Pore Limiting Diameter for Molecular Separations in Metal-Organic Framework Membranes, J. Phys. Chem. C, 125, 20416-20425, 2021.
84. Hu, J.; Gu, X,; Lin, L.-C.*; Bakshi, B.*, Toward Sustainable Metal-Organic Frameworks for Post-Combustion Carbon Capture by Life Cycle Assessment and Molecular Simulation, ACS Sustain. Chem. Eng., 9, 12132-12141, 2021.
83. Kan, M.-Y.; Lyu, Q,; Chu, Y.-H.; Hsu, C.-C.; Lu, K.-L.; Lin, L.-C.*; Kang, D.-Y.*, Suppressing Defect Formation in Metal-organic Framework Membranes via Plasma-assisted Synthesis for Gas Separations, ACS Appl. Mater. Interfaces, 13, 41904-41915, 2021.
82. Guo, J.-C.; Zou, C.; Chen, J.-J.*; Lin, L.-C.* & Kang, K.-Y.*, NaP1 zeolite membranes with high selectivity for water-alcohol pervaporation, J. Membr. Sci., 639, 119762, 2021.
81. Hung, T.-H.; Deng, X.; Lyu, Q.; Lin, L.-C.* & Kang, K.-Y.*, Coulombic effect on permeation of CO2 in metal-organic framework membranes, J. Membr. Sci., 639, 119742, 2021.
80. An, H.; Cho, K.Y.; Lyu, Q.; Chiou, D.-S.; Nam, K.J.; Kang, K.-Y.*, Lin, L.-C.* & Lee, J.S.*, Facile Defect Engineering of Zeolitic Imidazolate Frameworks Towards Enhanced C3H6/C3H8 Separation Performance, Adv. Funct. Mater., 32, 2105577, 2021.
79. Hsieh, Y.-H.; Zou, C.; Chen, J.-J.*; Lin, L.-C.* & Kang, D.-Y.*, Pillared-bilayer Metal-organic Framework Membranes for Dehydration of Isopropanol, Microporous Mesoporous Mat., 326, 111344, 2021.
78. Shin, J.H.; Kan, M.-Y.; Oh, J.-W.; Yu, H.J.; Kim, J.-H., Lin, L.-C.; Kang, D.-Y.; Lee, J. S.* Solubility Selectivity-Enhanced SIFSIX-3-Ni-Containing Mixed Matrix Membranes for Improved CO2/CH4 Separation Efficiency, J. Membr. Sci., 633, 119390, 2021.
77. Liu, Y.; Lyu, Q.; Wang, Z.; Sun, Y.; Li, C.; Sun, S.; Lin, L.-C.*; Hu, S.* A Flame-Retardant Post-Synthetically Functionalized COF Sponge as Absorbent for Spilled Oil Recovery, J. Mater. Sci., 56, 13031-13042, 2021.
76. Cho, E.H.; Lin, L.-C.* Nanoporous Material Recognition via 3D Convolutional Neural Networks: Prediction of Adsorption Properties, J. Phys. Chem. Lett., 12 (9), 2279-2285, 2021.
75. Datar, A.; Witman, M.; Lin, L.-C.* Improving Computational Assessment of Porous Materials for Water Adsorption Applications via Flat Histogram Methods, J. Phys. Chem. C, 125 (7), 4253-4266, 2021.
74. Chiou, D.-S.; Yu, H. J.; Hung, T.-H.; Lyu, Q.; Chang, C.-K.; Lee, J. S.*; Lin, L.-C.*; Kang, D.-Y.* Highly CO2 Selective Metal-Organic Framework Membranes with Favorable Coulombic Effect, Adv. Funct. Mater., 31 (4), 2006924, 2021.
2020 (8 articles)
73. Cho, E.H.; Deng, X.; Zou, C.; Lin, L.-C.* Machine Learning Aided Computational Study of Metal-Organic Frameworks for Sour Gas Sweetening, J. Phys. Chem. C, 124 (50), 27580–27591, 2020.
72. Deng, X.; Zou, C.; Han, Y.*; Lin, L.-C.*; Ho, W.S.W.* Computational Evaluation of Carriers in Facilitated Transport Membranes for Post-Combustion Carbon Capture, J. Phys. Chem. C, 124 (46), 25322–25330, 2020.
71. Chang, T.-A.; Hsu, W.-J.; Hung, T.-H.; Hu, S.-W.; Tsao, H.-K.; Zou, C.; Lin, L.-C.; Kang, Y.-H.; Chen, J.-J.*; Kang, D.-Y.* Toward Long-lasting Low-haze Anti-fog Coatings through the Deposition of Zeolites, Ind. Eng. Chem. Res., 59 (29), 13042–13050, 2020.
70. Zou, C.; Lin, L.-C.* Potential and Design of Zeolite Nanosheets as Pervaporation Membranes for Ethanol Extraction, Ind. Eng. Chem. Res., 59 (28), 12845–12854, 2020.
69. Datar, A.; Chung, Y. G.*; Lin, L.-C.* Beyond the BET Analysis: the Surface Area Prediction of Nanoporous Materials Using a Machine Learning Method, J. Phys. Chem. Lett., 11 (14), 5412–5417, 2020.
68. Lyu, Q.; Kang, D.-Y.; Hu, S.; Lin, L.-C.* Exploiting interior surface functionalization in reverse osmosis desalination membranes to mitigate permeability−selectivity trade-off: molecular simulations of nanotube-based membranes, Desalination, 491, 114537, 2020.
67. Zou, C.; Penley, D. R.; Cho, E. H.; Lin, L.-C.* Efficient and Accurate Charge Assignments via Multi-Layer Connectivity-based Atom Contribution (m-CBAC) Approach, J. Phys. Chem. C, 124 (21), 11428–11437, 2020.
66. Risplendi, F.; Raffone, F.; Lin, L.-C.; Grossman, J.C.; Cicero, G. Fundamental Insights on Hydration Environment of Boric Acid and Its Role in Separation from Saline Water, J. Phys. Chem. C, 124 (2), 1438-1445, 2020.
2019 (11 articles)
65. Su, C.-Y.; Lyu, Q.; Kang, D.-Y.*; Yang, Z.-H.; Lam, C. H.; Chen, Y.-H.; Lo, S.-C.; Hua, C.-C.*; Lin, L.-C.* Hexagonal superalignment of nano-objects with tunable separation in a dilute and spacer-free solution, Phys. Rev. Lett., 123, 238002, 2019.
64. Cho, E. H.; Lin, L.-C.* Electrostatic Potential Optimized Molecular Models for Molecular Simulations: CO, CO2, COS, H2S, N2, N2O, and SO2, J. Chem. Theory Comput., 15 (11), 6323-6332, 2019.
63. Kan, M.-Y.; Shin, J. H.; Yang, C.-T.; Chang, C.-K.; Lee, L.-W.; Chen, B.-H.; Lu, K.-L.; Lee, J. S.*; Lin, L.-C.*; Kang, D.-Y.* Activation-Controlled Structure Deformation of Pillared-Bilayer Metal-Organic Framework Membranes for Gas Separations, Chem. Mater., 31 (18), 7666-7677, 2019.
62. Sinha, P.; Datar, A.; Jeong, C.; Deng, X.; Chung, Y. G.*; Lin, L.-C.* Surface Area Determination of Porous Materials Using the Brunauer-Emmett-Teller (BET) Method: Limitations and Improvements, J. Phys. Chem. C, 123 (33), 20195-20209, 2019.
61. Lyu, Q.; Deng, X.; Hu, S.*; Lin, L.-C.*; Ho, W.S.W. Exploring the Potential of Defective UiO-66 as Reverse Osmosis Membranes for Desalination, J. Phys. Chem. C, 123 (26), 16118-16126, 2019.
60. Yu, Y.; Chien, S.-C.; Sun, J.; Hettiaratchy, E.; Myers, R. Lin, L.-C.*; Wu, Y.* Excimer-Mediated Intermolecular Charge Transfer in Self-Assembled Donor-Acceptor Dyes on Metal Oxides, J. Am. Chem. Soc., 141 (22), 8727-8731, 2019.
59. Cho, E.H.; Lyu, Q.; Lin, L.-C.* Computational Discovery of Nanoporous Materials for Energy- and Environment-related Applications, Mol. Sim., 2019, DOI: 10.1080/08927022.2019.1626990.
58. Yu, Y.; Click, K. A.; Chien, S.-C.; Sun, J.; Curtze, A.; Lin, L.-C.*; Wu, Y.* Decoupling pH-Dependence of Flat-Band Potential in Aqueous Dye-Sensitized Electrodes, J. Phys. Chem. C, 123 (14), 8681-8687, 2019.
57. Mohona, T. M.; Gupta, A.; Masud, A.; Chien, S.-C.; Lin, L.-C.; Nalam, P. C. & Aich, N.* Aggregation Behavior of Inorganic 2D Nanomaterials Beyond Graphene: Insights from Molecular Simulations and Modified DLVO Theory, Environ. Sci. Technol., 53 (8), 4161-4172, 2019.
56. Deshpande, N.; Cho, E.H.; Spanos, A.P.; Lin, L.-C. & Brunelli, N.A.* Tuning Molecular Structure of Tertiary Amine Catalysts for Glucose Isomerization, J. Catal., 372, 119-127, 2019.
55. Janda, A.*; Lin, L.-C.; Vlaisavljevich, B.; Van der Mynsbrugge, J. & Bell, A. T. RE: "Impact of Zeolite Structure on Entropic-Enthalpic Contributions to Alkane Monomolecular Cracking: An IR Operando Study" by S. A. Kadam, H. Li, R. F. Wormsbacher, A. Travert, Chem. Eur. J., 25 (29), 7225-7226, 2019.
2018 (12 articles)
54. Becker, T.; Luna-Triguero, A.; Vicent-Luna, J.M.; Lin, L.-C.; Dubbeldam, D.; Calero, S. & Vlugt, T.* Potential of Polarizable Force Fields for Predicting the Separation Performance of Small Hydrocarbons in MMOF-74, Phys. Chem. Chem. Phys., 20, 28848-28859, 2018.
53. Becker, T.; Lin, L.-C.; Dubbeldam, D. & Vlugt, T.* Polarizable Force Field for CO2 in M-MOF-74 Derived from Quantum Mechanics, J. Phys. Chem. C, 122 (42), 24488−24498, 2018.
52. Bien, C.E; Chen, K.K.; Chien, S.-C.; Reiner, B.R.; Lin, L.-C.; Wade, C.R.*; Ho, W.S.W. Bioinspired Metal-Organic Framework for Trace CO2 Capture, J. Am. Chem. Soc., 140 (40), 12662-12666, 2018.
51. Zou, C.; Lin, L.-C.* Exploring the Potential and Design of Zeolite Nanosheets as Pervaporation Membranes for Ethanol Extraction, Chem. Commun., 54, 13200-13203, 2018.
50. Yang, C.-T.; Kshiragar, A.R; Charaf Eddin, A.; Lin, L.-C.*; Poloni, R.* Tuning Gas Adsorption by Metal Node-Blocking in Photoresponsive Metal-Organic Frameworks, Chem. Eur. J., 24 (57), 15167-15172, 2018.
49. Cho, E.H.; Lin, L.-C.* Systematic molecular model development with reliable charge distributions for gaseous adsorption in nanoporous materials, J. Mater. Chem. A, 6, 16029-16042, 2018.
48. Lyu, Q.;Sun, S.; Li, C.; Hu, S.; Lin, L.-C.* Rational Design of Two-diemnsional Hydrocarbon Polymer as Ultrathin-film Nanoporous Membranes for Water Desalination, ACS Appl. Mater. Interfaces, 10, 18778–18786, 2018.
47. Lim, J.R.; Yang, C.-T.; Kim, J.; Lin, L.-C.* Transferability of CO2 Force Fields for the Prediction of Adsorption Properties in All-Silica Zeolites, J. Phys. Chem. C, 122, 10892–10903, 2018.
46. Chen, Y.-R.; Liou, K.-H.; Kang, D.-Y.; Chen, J.-J. & Lin, L.-C.* Investigation of the Water Adsorption Properties and Structural Stability of MIL-100(Fe) with Different Anions, Langmuir, 34, 4180–4187, 2018.
45. Yang, C.-T.; Janda, A.; Bell, A.T.* & Lin, L.-C.* Atomistic Investigations of the Effects of Si/Al Ratio and Al Distribution on the Adsorption Selectivity of n-Alkanes in Brønsted-Acid Zeolites, J. Phys. Chem. C, 122, 9397-9410, 2018.
44. Van der Mynsbrugge, J.; Janda, A. Lin, L.-C.; Van Speybroeck, V.; Head-Gordon, M. & Bell, A.T.* Understanding Brønsted-Acid Catalyzed Monomolecular Reactions of Alkanes in Zeolite Pores by Combining Insights from Experiment and Theory, ChemPhysChem, 19, 341-358, 2018.
43. Choi, J.W.; Lin, L.-C.* & Grossman, J.C.* The Role of Structural Defects in the Water Adsorption Properties of MOF-801, J. Phys. Chem. C, 122, 5545-5552, 2018.
2017 (7 articles)
42. Deshpande, N.; Pattanaik, L.; Whitaker, M.W.; Yang, C.-T.; Lin, L.-C., Brunelli, N.A.* Selectively Converting Glucose to Fructose Using Immobilized Tertiary Amines, Journal of Catalysis, 353, 205-210, 2017.
41. Lin, L.-C.; Paik, D. & Kim, J.* Understanding Gas Adsorption in MOF-5/Graphene Oxide Composite Material Phys. Chem. Chem. Phys., 19, 11639-11644, 2016.
40. Jamali, S.H.; Vlugt, T.J.H & Lin, L.-C.* Atomistic Understanding of Zeolite Nanosheets for Water Desalination, J. Phys. Chem. C 121, 11273-11280, 2017.
39. Van der Mynsbrugge, J.; Janda, A.; Mallikarjun Sharada, S.; Lin, L.-C.; Van Speybroeck, V.; Head-Gordon, M. & Bell, A.* Theoretical Analysis of the Influence of Pore Geometry on Monomolecular Cracking and Dehydrogenation of n-Butane in Brønsted-Acid Zeolites, ACS Catalysis 7, 2685-2697, 2017.
38. Janda, A.; Vlaisavljevich, B.; Smit, B.; Lin, L.-C.* & Bell, A.T.* Effects of Pore and Cage Topology on Thermodynamics of n-Alkane Adsorption at Brønsted Protons in Zeolites at High Temperature, J. Phys. Chem. C 121, 1618-1638, 2017.
37. Becker, T.; Heinen, J.; Dubbeldam, D.; Lin, L.-C. & Vlugt, T.* Polarizable Force Fields for CO2 and CH4 Adsorption in M-MOF-74, J. Phys. Chem. C 121, 4659-4673, 2017.
36. Liou, K.-H.; Kang, D.-Y.*; and Lin, L.-C.*; Investigating the Potential of Single-walled Aluminosilicate Nanotubes in Water Desalination, ChemPhysChem 18, 179-183, 2017.
2016 (7 articles)
35. De Lange, M.F.; Lin, L.-C.; Gascon, J.; Vlugt, T.J.H. & Kapteijn, F.* Assessing the surface area of porous solids – limitations, probe molecules and methods, Langmuir 32, 12664-12675, 2016.
34. Fan, Z.; Lin, L.-C.; Buijs, W.; Vlugt, T.J.H. & van Huis, M.A. Atomistic understanding of cation exchange in PbS nanocrystals using simulations with pseudoligands, Nature Communications 7, 11503, 2016.
33. Braun, E.; Zurhelle, A.F.; Thijssen, W.; Kchnell, S.K.; Lin, L.-C.; Kim, J.; Thompson, J.A. & Smit, B., High-Throughput Computational Screening of Nanoporous Adsorbents for CO2 Capture from Natural Gas, Molecular Systems Design & Engineering 1, 175-188, 2016.
32. Mercado, R.; Vlaisavljevich, B, Lin, L.-C.; Lee, K.; Lee, Y.; Mason, J.A.; Xiao, D.J.; Gonzalez, M.I.; Kapelewski, M.T.; Neaton, J.B. & Smit, B., Force Field Development from Periodic Density Functional Theory Calculations for Gas Separation Applications Using Metal-Organic Frameworks, J. Phys. Chem. C 120, 12590-12604, 2016.
31. (*Contributed equally) *Cohen-Tanugi, D.; *Lin, L.-C. & Grossman, J.C. Multilayer Nanoporous Graphene Membranes for Water Desalination, Nano Lett. 16, 1027-1033, 2016.
30. Janda, A.L.; Vlaisavljevich, B.; Lin, L.-C.; Smit, B. & Bell, A.T., Effects of zeolite structural confinement on adsorption thermodynamics and reaction kinetics for monomolecular cracking and dehydrogenation of n-butane, J. Am. Chem. Soc. 138, 4739-4756, 2016.
29. Becker, T.; Dubbeldam, D.; Lin, L.-C. & Vlugt, T., Investigating polarization effects of CO2 adsorption in MgMOF-74, J. Comput. Sci.15, 86-94, 2016.
2015 (7 articles)
28. Lin, L.-C. & Grossman, J.C. Atomistic Understandings of Reduced Graphene Oxide as an Ultrathin-Film Nanoporous Membrane for Separations, Nature Communications 6, 8335, 2015.
27. Lin, L.-C.; Choi, J. & Grossman, J.C. Two-dimensional Covalent Triazine Framework as an Ultrathin-Film Nanoporous Membrane for Desalination, Chem. Commun. 51, 14921-14924, 2015.
26. (*Contributed equally) *Lee, K.; *Howe, J.; *Lin, L.-C.; Smit, B. & Neaton, J.B. Small Molecule Adsorption in Open-Site Metal-Organic Frameworks: a Systematic Density Functional Theory Study for Rational Design, Chem. Mater. 27, 668-678, 2015.
25. (*Contributed equally) *Peng, X.; *Lin, L.-C.; Sun, W. & Smit, B. Water Adsorption in Metal-Organic Frameworks with Open-Metal Sites, AICHE J. 61, 677-687, 2015.
24. Braun, E.; Chen, J.J.; Schnell, S.K.; Lin, L.-C.; Reimer, J.A. & Smit, B. Nanoporous Materials can Tune the Critical Point of a Pure Substance, Angew. Chem. Int. Ed. 54, 14349-14352, 2015.
23. de Lange, M.; Van Velzen, B.; Ottevanger, C.; Verouden, K.; Lin, L.-C.; Vlugt, T.; Gascon, J. & Kateijn, F. Metal-Organic Frameworks in Adsorption Driven Heat Pumps: The Potential of Alcohols as Working Fluid, Langmuir 31, 12783-12796, 2015.
22. Janda, A.L.; Vlaisavljevich, B.; Lin, L.-C.; Sharada, S.M.; Smit, B.; Head-Gordon, M. & Bell, A.T. Adsorption Thermodynamics and Intrinsic Activation Parameters for Monomolecular Cracking of N-alkanes on Brønsted-acid Sites in Zeolites, J. Phys. Chem. C. 119, 10427-10438, 2015.
2014 (9 articles)
21. (*Contributed equally) *Liu, H.; *Liu, B.; *Lin, L.-C.; Chen, G.-J.; Wu, Y.-Q.; Wang, J.; Gao, X.-T.; Lv, Y.-L.; Pan, Y.; Zhang, X.-X.; Zhang, X.-R.; Yang, L.-Y.; Sun, C.-Y.; Smit, B. & Wang, W.-C. A Hybrid Absorbent-Adsorbent Method to Efficiently Capture Carbon, Nature Communications 5, 5147, 2014.
20. Lin, L.-C.; Lee, K, Gagliardi; L., Neaton, J.B. & Smit, B. Force Field Development from Electronic Structure Calculations with Periodic Boundary Conditions: Applications to Gaseous Adsorption and Transport in Metal-Organic Frameworks, J. Chem. Theory Comput. 10, 1477-1488, 2014.
19. (*Contributed equally) *Borycz, J.; *Lin, L.-C.; Bloch, E.D.; Kim, J.; Dzubak, A.L.; Maurice, R.; Semrouni, D.; Lee, K.; Smit, B. & Gagliardi, L. CO2 Adsorption in Fe2(dobdc): A Classical Force Field Parameterized from Quantum Mechanical Calculations, J. Phys. Chem. C 118, 12230-12240, 2014.
18. Huck, J.M.; Lin, L.-C.; Berger, A.; Shahrak, M.N.; Martin, R.L.; Bhown, A.S.; Haranczyk, M.; Reuter, K. & Smit, B. Evaluating different classes of porous materials for carbon capture, Energy Environ. Sci. 7, 4132-4146, 2014.
17. Sun, W.; Lin, L.-C.; Peng, X. & Smit, B. Computational Screening of Porous MOFs and Zeolites for the Removal of SO2 and NOx in the Flue Gases: a Molecular Simulation Study, AICHE J. 60, 2314-2323, 2014.
16. Simon, C.; Kim, J.; Lin, L.-C.; Martin, R.L.; Haranczyk, M. & Smit, B. Optimizing Nanoporous Materials for Gas Storage, Phys. Chem. Chem. Phys. 16, 5499-5513, 2014. ***Selected as the cover of the issue
15. Lee, J.; Isley, W.C.; Dzubak, A.L.; Verma, P.; Stoneburner, S.J.; Lin, L.-C.; Howe, H.D.; Bloch, E.D.; Reed, D.A.; Hudson, M.R.; Brown, C.M.; Long, J.R.; Neaton, J.B.; Smit, B.; Cramer, C.H.; Truhlar, D.G. & Gagliardi, L. Design of a Metal-Organic Framework with Enhanced Back Bonding for the Separation of N2 and CH4, J. Am. Chem. Soc. 136, 698-704, 2014.
14. Kim, J.; Lin, L.-C.; Lee, K.; Neaton, J.B. & Smit, B. Efficient Determination of Accurate Force Fields for Porous Materials Using Ab-initio Total Energy Calculations, J. Phys. Chem. C 118, 2693-2701, 2014.
13. Bloch, E.D.; Hudson, M.R.; Mason, J.A.; Chavan, S.; Crocella, V.; Howe, J.D.; Lee, K.; Dzubak, A.L.; Queen, W.K.; Zadrozny, J.M.; Geier, S.J.; Lin, L.-C.; Gagliardi, L.; Smit, B.; Neaton, J.B.; Brodiga, S.; Brown, C.M. & Long, J.R. Reversible CO Binding Enables Tunable CO/H2 and CO/N2 Separations in Metal-Organic Frameworks with Exposed Divalent Metal Cations, J. Am. Chem. Soc. 136, 10752-10761, 2014.
2013 (7 articles)
12. Lin, L.-C.; Kim, J.; Kong, X.; Scott, E.; McDonald, T.M.; Long, J.R.; Reimer, J.A. & Smit, B. Understanding CO2 Dynamics in Metal-Organic Frameworks with Open Metal Sites, Angew. Chem. Int. Ed. 52, 4410-4413, 2013, ***Selected as the inside cover of the issue
11. Kim, J.; Abouelnasr, M.; Lin, L.-C. & Smit, B. Large-scale Screening of Zeolite Structures for CO2 Membrane Separation, J. Am. Chem. Soc. 135, 7545-7552, 2013.
10. Swisher, J.A.; Lin, L.-C.; Kim, J. & Smit, B. Evaluating Mixture Adsorption Models Using Molecular Simulation, AICHE J. 59, 3054-3064, 2013.
9. Haranczyk, M.; Lin, L.-C.; Lee, K.; Neaton, H.B. & Smit, B. Methane Storage Capabilities of Diamond Analogues, Phys. Chem. Chem. Phys. 15, 20937-20942, 2013.
8. Martin, R.L.; Lin, L.-C.; Jariwala, K.; Smit, B. & Haranczyk, M. Mail-Order Oganic Frameworks (MOFs): Designing Isoreticular MOF-5 Analogues Comprising Commercially Available Organic Molecules, J. Phys. Chem. C 117, 12159-12167, 2013. ***Selected as the cover of the issue
7. Planas, N.; Dzubak, A.L.; Poloni, R.; Lin, L.-C.; McManus, A.; McDonald, T.M.; Neaton, J.B.; Long, J.R.; Smit, B. & Gagliardi, L. The Mechanism of Carbon Dioxide Adsorption in an Alkylamine-Functionalized Metal-Organic Framework, J. Am. Chem. Soc. 135, 7402-7405, 2013.
6. Kim, J.; Maiti, A.; Lin, L.-C.; Stolaroff, J.K.; Smit, B. & Aines, R.D. New Materials for Methane Capture from Dilute and Medium-concentration Sources, Nature Communications 4, 1694, 2013.
2012 (5 articles)
5. (*Contributed equally) *Kim, J.; *Lin, L.-C.; Swisher, J.A.; Haranczyk, M & Smit, B. Prediction Large CO2 Adsorption in Aluminosilicate Zeolites for Postcombustion Carbon Dioxide Capture, J. Am. Chem. Soc. 134, 18940-18943, 2012.
4. Lin, L.-C.; Berger, A.H.; Martin, R.L.; Kim, J.; Swisher, J.A.; Jariwala, K.; Rycroft, C.H.; Bhown, A.S.; Deem, M.W.; Haranczyk, M. & Smit, B. In Silico Screening of Carbon-Capture Materials, Nature Materials 11, 633-641, 2012.
3. (*Contributed equally) *Kim, J.; *Lin, L.-C.; Martin, R.L.; Swisher, J.A.; Haranczyk, M. & Smit, B. Large-scale Computational Screening of Zeolites for Ethane/Ethene Separation, Langmuir 28, 11914-11919, 2012.
2. (*Contributed equally) *Dzubak, A.L.; *Lin, L.C.; Kim, J.; Swisher, J.A.; Poloni, R.; Maximoff, S.N.; Smit, B. & Gagliardi, L. Ab Initio Carbon Capture in Open-site Metal-Organic Frameworks, Nature Chemistry 4, 810-816, 2012.
1. Martin R.L.; Willems, T.F.; Lin, L.-C.; Kim, J.; Swisher, J.A.; Smit, B. & Haranczyk, M. Similarity-driven Discovery of Porous Materials for Adsorption-based Separations, ChemPhysChem 13(16), 3595-3597, 2012. ***Selected as the cover of the issue