2022

(70) J. Sittiwong, O. Opasmongkolchai, P. Srifa, B. Boekfa, P. Treesukol, W. Sangthong, T. Maihom*, and J. Limtrakul, "Computational Study of the Conversion of Methane and Carbon Dioxide to Acetic Acid over NU-1000 Metal–Organic Framework-Supported Single-Atom Metal Catalysts" Molecular Catalysis, (2022) in revision

(69) K. Homlamai, N. Anansuksawat, N. Joraleechanchai, P. Chiochan, T. Sangsanit, W. Tejangkura, T. Maihom, J. Limtrakul, M. Sawangphruk, "Microcracking of Ni-rich layered oxide does not occur at single crystal primary particles even abused at 4.7 V" Chemical Communications, 58 (81), 11382, (2022).

(68) M. A. Hossain, T. Saelee, S. Tulaphol, M. S. Rahaman, T. K. Phung, T. Maihom, P. Praserthdam, S. Praserthdam, D. J. Yelle, N. Sathitsuksanoh, "Catalytic hydrogenolysis of lignin into phenolics by internal hydrogen over Ru catalyst" ChemCatChem, 14 (20), e202200549 (2022).

(67) T. Watcharatpong, T. Pila, T. Maihom, T. Ogawa, T. Kurihara, K. Ohara, T. Inoue, H. Tabe, Y. S.Wei, K. Kongpatpanich, S. Horike, "Coordination polymer-forming liquid Cu(2-isopropylimidazolate)" Chemical Science, 13 (38), 11422, (2022).

(66) J. Sitiwong, K. Hiruntrakool, A. Rasrichai, O. Opasmongkolchai, P. Srifa, K. Nilwanna, T. Maihom*, J. Limtrakul, "Insights into Glyphosate Adsorption on Lewis Acidic Zeolites from Theoretical Modelling" Microporous and Mesoporous Materials, 341, 112083 (2022).

(65) S. Kumar, J. Romero, M. Probst, T. Maihom, G. García, P. Limão-Vieira, "Sensing the ortho Positions in C₆Cl₆ and C₆H₄Cl₂ from Cl₂⁻ Formation upon Molecular Reduction" Molecules 27 (15), 4820 (2022)

(64) M. S. Rahaman, S. Tulaphol, Md. A. Hossain, J. B. Jasinski, S. B. Lalvani, M. Crocker, T. Maihom, N. Sathitsuksanoh, "Aluminum-containing metal-organic frameworks as selective and reusable catalysts for glucose isomerization to fructose" ChemCatChem, 14 (4), e202101756 (2022).

(63) C. Rodauma, P. Chaipornchalerm, W. Nunthakitgoson, A. Thivasasith, T. Maihom, T. Atithep, P. Kidkhunthod, C. Uthayopas, S. Nutanong, S. Thongratkaew, K. Faungnawakij, C. Wattanakit, "Highly efficient propane dehydrogenation promoted by reverse water–gas shift reaction on Pt-Zn alloy surfaces" Fuel, 325, 124833 (2022).

(62) T. Maihom*, J. Sitiwong, M. Probst, J. Limtrakul, "Understanding the Interactions between Lithium Polysulfides and Anchoring Materials in Advanced Lithium−Sulfur Batteries using Density Functional Theory" Phys. Chem. Chem. Phys., 24, 8604-8623 (2022). (Perspectives paper)

(61) M. S. Rahaman, S. Tulaphol, A. Molley, K. Mills, Md. A. Hossain, M. Mulvehill, J. Spurgeon, T. Maihom,* N. Sathitsukanoh* "Mechanism of transfer hydrogenation of carbonyl compounds by zirconium and hafnium-containing metal-organic frameworks" Molecular Catalysis, 522, 112247 (2022).

(60) M. S. Rahaman, S. Tulaphol, Md A. Hossain, J. B Jasinski, N. Sun, A. George, B. A Simmons, T. Maihom, M. Crocker, N. Sathitsuksanoh "Cooperative Brønsted-Lewis acid sites created by phosphotungstic acid encapsulated metal–organic frameworks for selective glucose conversion to 5-hydroxymethylfurfural" Fuel, 310,122459 (2022).

(59) M. S. Rahaman, S. Tulaphol, K. Mills, A. Molley, Md A. Hossain, S. Lalvani, T. Maihom, M. Crocker, N. Sathitsuksanoh "Aluminum‐based Metal‐Organic Framework as Water‐tolerant Lewis Acid Catalyst for Selective Dihydroxyacetone Isomerization to Lactic Acid" ChemCatChem, 14, e202101756 (2022).

2021

(58) N. Maeboonruan, B. Boekfa, T. Maihom, P. Treesukol, K. Kongpatpanich, S. Namuangruk, M. Probst, J. Limtrakul, "Adsorption and dehydration of ethanol on isomorphously B, Al, and Ga substituted H-ZSM-5 zeolite: an embedded ONIOM study" Journal of Molecular Modeling 27: 354 (2021).

(57) J. Sittiwong, T. Jaturajamrenchai, P. Wongkampuan, N. Somwatcharajit, S. Impeng, T. Maihom*, M. Probst, J. Limtrakul "Modulating the catalytic activity of metal-organic frameworks for CO oxidation with N2O through an oriented external electric field" Molecular Catalysis, 516, 111970 (2021).

(56) M. S. Rahaman, S. Tulaphol, A. Molley, K. Mills, M. A. Hossain, D. Yelle, T. Maihom, N. Sathitsuksanoh "Metal triflate formation of C 12–C 22 phenolic compounds by the simultaneous C–O breaking and C–C coupling of benzyl phenyl ether" Dalton Transactions , 50, 17390 (2021)

(55) N. Yamsang, J. Sittiwong, P. Srifa, B. Boekfa, T. Maihom*, J. Limtrakul "First-Principle Study of Lithium Polysulfide Adsorption on Heteroatom Doped Graphitic Carbon Nitride for Lithium-Sulfur Batteries" Applied Surface Science, 565, 150378 (2021).

(54) S. Tiewcharoen, T. Maihom*, J. Sittiwong, J. Limtrakul "The Influence of Cation Exchanged Sn-BEA Zeolite for Phenol Adsorption and Tautomerization: A Computational Study" Chemical Physics Letters, 780, 138886 (2021).

(53) L. Chen, A. Probst, A. Kaiser, D. Süß, A. Mauracher, T. Maihom, M. Probst "Density Functionals for Accurate Molecular Properties of Be/W/H Compounds" Nuclear Materials and Energy , 101026 (2021).

(52) J. Romero, T. Maihom, P. Limao-Vieira, M. Probst "Electronic structure and reactivity of tirapazamine as a radiosensitizer" Journal of Molecular Modeling" 27, 177 (2021).

(51) J. Sittiwong, A. S. Boonmark, W. Nunthakitgoson, T. Maihom*, Chularat Wattanakit, J. Limtrakul" Investigation of the Conversion of Furfural to Furfuryl Alcohol by Reaction with i-Propanol over UIO-66 Metal-Organic Frameworks by Density Functional Theory and Linear Scaling Relations " Inorganic Chemistry, 60(7) 4860–4868 (2021).

(50) J. Sittiwong, A. Prasertsab, S. Boonmark, W. Nunthakitgoson, P. Srifa, T. Maihom*, J. Limtrakul" Theoretical Insights into Furfural Reduction to Furfuryl Alcohol via the Catalytic Hydrogen Transfer Reaction Catalyzed by Cations Exchanged Zirconium-Containing Zeolites " Molecular Catalysis , 504, 111471 (2021).

(49) W. Nunthakitgoson, A. Thivasasith, T. Maihom, C. Wattanakit "Effects of single and double active sites of Cu oxide clusters over MFI zeolite for direct conversion of methane to methanol: DFT calculations" Physical Chemistry Chemical Physics 23, 2500-2510 (2021).

2020

(48) P. Wuamprakhon, A. Krittayavathananon, S. Kosasang, N. Ma, Thana Maihom, J. Limtrakul, N. Chanlec, P. Kidkhunthod, M. Sawangphruk "Effect of Intercalants inside Birnessite-Type Manganese Oxide Nanosheets for Sensor Applications" Inorganic Chemistry 21, 15595-15605 (2020)

(47) D. Suttipat, S. Butcha, S. Assavapanumat, T. Maihom, B. Gupta, A. Perro, N. Sojic, A. Kuhn, C. Wattanakit "Chiral macroporous MOF surfaces for electroassisted enantioselective adsorption and separation" ACS Applied Materials & Interfaces 32, 36548-36557 (2020).

(46) V. Paluka, T. Maihom*, C. Warakulwit, P. Srifa, B. Boekfa, P. Treesukol, P. Poolmee, J. Limtrakul "Density Functional Study of the Effect of Cation Exchanged Sn-Beta Zeolite for the Diels Alder Reaction between Furan and Methyl Acrylate" Chemical Physics Letters 754, 137743 , (2020).

(45) V. Paluka, T. Maihom*, M. Probst, J. Limtrakul "Dehydrogenation of Ethanol to Acetaldehyde with Nitrous Oxide over the Metal-Organic Framework NU-1000: A Density Functional Theory Study" Physical Chemistry Chemical Physics 22, 13622-13628 (2020).

(44) L. Chen, D. Süß, I. Sukuba, M. Schauperl, M. Probst, T. Maihom, A. Kaiser "Performance of DFT functionals for properties of small molecules containing beryllium, tungsten and hydrogen " Nuclear Materials and Energy 22, 100731 (2020)

(43) K. Homlamai, T. Maihom*, S. Choomwattana, M. Sawangphruk, J. Limtrakul "Single-atoms supported (Fe, Co, Ni, Cu) on graphitic carbon nitride for CO2 adsorption and hydrogenation to formic acid: First-principles insights" Applied Surface Science, 499, 1 , 143928 (2020)

2019

(42) S. Ketrat, T. Maihom*, P. Treesukul, B. Boekfa, J. Limtrakul "Theoretical Study of Methane Adsorption and C-H Bond Activation over Fe-Embedded Graphene: Effect of External Electric Field" Journal of Computational Chemistry, 40, 32, 2819-2826 (2019)

(41) N. Deepankeaw, T. Maihom*, M. Probst, A. Prasertsab, K. Homlamai, J. Sittiwong, J. Limtrakul "Phenol Tautomerization Catalyzed by Acid–Base Pairs in Lewis Acidic Beta Zeolites: A Computational Study" ChemPhysChem, 20, 2122-2126 (2019).

(40) S. Klinyod, B. Boekfa, S. Pornsatitworakul, T. Maihom, N. Jarussophon, P. Treesukol, C. Wattanakit, J. Limtrakul, Theoretical and Experimental Study on the 7-Hydroxy-4-Methylcoumarin Synthesis with H-Beta Zeolite ChemistrySelect 4, 36, 10660-10667 (2019).

(39) A. Thivasasith, T. Maihom, S. Pengpanich, C. Wattanakit, Nanocavity effects of various zeolite frameworks on n-pentane cracking to light olefins: combination studies of DFT calculations and experiments Physical Chemistry Chemical Physics 21, 22215-22223 (2019).

(38) M. Mendes, M. Probst, T. Maihom, G. García, P. Limão-Vieira "Selective Bond Excision in Nitroimidazoles by Electron Transfer Experiments" Journal of Physical Chemistry A, 123,18, 4068-4073 (2019)

(37) T. Maihom*, M. Probst, J. Limtrakul "Computational study of the carbonyl–ene reaction between formaldehyde and propylene encapsulated in coordinatively unsaturated metal–organic frameworks M3(btc)2 (M = Fe, Co, Ni, Cu and Zn)" Physical Chemistry Chemical Physics, 21, 2783-2789 (2019)

(36) A. Thivasasith, T. Maihom, S. Pengpanich, J. Limtrakul, C. Wattanakit "Insights into the reaction mechanism of n-hexane dehydroaromatization to benzene over gallium embedded HZSM-5: effect of H 2 incorporated on active sites " Physical Chemistry Chemical Physics , 21, 5359-5367 (2019)

2018

(34) W. Thongnuam, T. Maihom,* S. Choomwattana, Y. Injongkol, B. Boekfa, P. Treesukol, J. Limtrakulc "Theoretical Study of CO2 Hydrogenation into Formic Acid on Lewis Acid Zeolites" Physical Chemistry Chemical Physics, 20, 25179-25185 (2018) (back cover art)

(34) A. Prasertsab, T. Maihom*, M. Probst, C. Wattanakit, J. Limtrakul "Furfural to Furfuryl Alcohol: Computational Study of the Hydrogen Transfer on Lewis Acidic BEA Zeolites and Effects of Cation Exchange and Tetravalent Metal Substitution" Inorganic Chemistry, 57, 6599–6605 (2018)

(33) S. Kalasina, N. Phattharasupakun, T. Maihom, V. Promarak, T. Sudyoadsuk, J. Limtrakul, M. Sawangphruk "Novel Hybrid Energy Conversion and Storage Cell with Photovoltaic and Supercapacitor Effects in Ionic Liquid Electrolyte" Scientific reports 8 (1), 12192 (2018)

(32) T. Maihom*, S. Kaewruang, N. Phattharasupakun, P. Chiochan, J. Limtrakul, M. Sawangphruk* “Lithium Bond Impact on Lithium Polysulfide Adsorption with Functionalized Carbon Fiber Paper Interlayer for Lithium-Sulfur Batteries” Journal of Physical Chemistry C 112(13), 7033-7040 (2018)

(31) T. Maihom*, M. Sawangphruk, M. Probst, J. Limtrakul “A computational study of the catalytic aerobic epoxidation of propylene over the coordinatively unsaturated metal–organic framework Fe₃(btc)₂: formation of propylene oxide and competing reactions” Physical Chemistry Chemical Physics 20 (9), 6726-6734 (2018)

(30) P. Wuamprakhon, A. Krittayavathananon, N. Ma, N. Phattharasupakun, T. Maihom, J. Limtrakul, M. Sawangphruk “Layered manganese oxide nanosheets coated on N-doped graphene aerogel for hydrazine detection: Reaction mechanism investigated by in situ electrochemical X-ray absorption spectroscopy” Journal of Electroanalytical Chemistry 808, 124-132, 2 (2018)

2017

(29) P. Chiochan, S. Kaewruang, N. Phattharasupakun, J. Wutthiprom, T. Maihom, J. Limtrakul, S. Nagarkar, S. Horike, M. Sawangphruk “Chemical Adsorption and Physical Confinement of Polysulfides with the Janus-faced Interlayer for High-performance Lithium-Sulfur Batteries” Scientific reports 7 (1), 17703 (2017)

(28) S.E. Huber, A. Mauracher, I. Sukuba, J. Urban, T. Maihom, M. Probst “Electron impact ionisation cross sections of iron oxides” European Physical Journal D 71 (12), 335 (2017)

(27) S. Ketrat, T. Maihom*, S. Wannakao, M. Probst, S. Nokbin, J. Limtrakul “Coordinatively Unsaturated Metal–Organic Frameworks M3 (btc) 2 (M= Cr, Fe, Co, Ni, Cu, and Zn) Catalyzing the Oxidation of CO by N2O: Insight from DFT Calculation” Inorganic chemistry 56 (22), 14005-14012, 1 (2017)

(26) S. Kaewruang, P. Chiochan, N. Phattharasupakun, P. Suktha, K. Kongpatpanich, T. Maihom, J. Limtrakul, M. Sawangphruk “Strong adsorption of lithium polysulfides on ethylenediamine-functionalized carbon fiber paper interlayer providing excellent capacity retention of lithium-sulfur batteries” Carbon 123, 492-501, 2 (2017)

(25) T. Maihom, S. Choomwattana, B. Boekfa, P. Treesukol “Theoretical mechanistic study of the ethylene oxidation over permanganate: effect of BF3 Lewis acid” Monatshefte für Chemie-Chemical Monthly 148 (7), 1277-1284, 1 (2017)

(24) S. Pornsatitworakul, B. Boekfa, T. Maihom, P. Treesukol, S. Namuangruk, S. Jarussophon, N. Jarussophon, J. Limtrakul “The coumarin synthesis: a combined experimental and theoretical study” Monatshefte für Chemie-Chemical Monthly 148 (7), 1245-1250, 1 (2017)

(23) S. Wannakao, T. Maihom, K. Kongpatpanich, J. Limtrakul, V. Promarak “Halogen substitutions leading to enhanced oxygen evolution and oxygen reduction reactions in metalloporphyrin frameworks” Physical Chemistry Chemical Physics 19 (43), 29540-29548 (2017)

(22) N. Phattharasupakun, J. Wutthiprom, S. Kaenket, T. Maihom, J. Limtrakul, M. Probst, S. S Nagarkar, S. Horike, M. Sawangphruk “A proton-hopping charge storage mechanism of ionic one-dimensional coordination polymers for high-performance supercapacitors” Chemical Communications 53 (86), 11786-11789 (2017)

(21) Y. Injongkol, T. Maihom*, P. Treesukul, J. Sirijaraensre, B. Boekfa, J. Limtrakul “Theoretical study on the reaction mechanism of hydrogenation of furfural to furfuryl alcohol on Lewis acidic BEA zeolites: effects of defect structure and tetravalent metals substitution” Physical Chemistry Chemical Physics 19 (35), 24042-24048, 2 (2017)

(20) J. Wutthiprom, N. Phattharasupakun, J. Khuntilo, T. Maihom, J. Limtrakul, M. Sawangphruk “Collaborative design of Li–S batteries using 3D N-doped graphene aerogel as a sulfur host and graphitic carbon nitride paper as an interlayer” Sustainable Energy & Fuels 1 (8), 1759-1765 (2017).

(19) Y. Injongkol, T. Maihom*, S. Choomwattana, B. Boekfa, J. Limtrakul “A mechanistic study of ethanol transformation into ethene and acetaldehyde on an oxygenated Au-exchanged ZSM-5 zeolite” RSC Advances 7 (60), 38052-38058 (2017)

2016

(18) T. Maihom*, S. Choomwattana, S. Wannakao, M. Probst, J. Limtrakul “Ethylene Epoxidation with Nitrous Oxide over Fe–BTC Metal–Organic Frameworks: A DFT Study” ChemPhysChem 17 (21), 3416-3422, 7 (2016)

(17) S. Wannakao, T. Maihom, M. Probst, J. Limtrakul, K. Kongpatpanich “Porous materials as a platform for highly uniform single-atom catalysts: tuning the electronic structure for the low-temperature oxidation of carbon monoxide” Journal of Physical Chemistry C 120 (35), 19686-19697, 8 (2016)

(16) P. Charoenwiangnuea, T. Maihom*, P. Kongpracha, J. Sirijaraensre, J. Limtrakul “Adsorption and decarbonylation of furfural over H-ZSM-5 zeolite: a DFT study” RSC Advances 6 (107), 105888-105894, 7 (2016)

2015

(15) T. Maihom*, M. Probst, J. Limtrakul “A DFT Study of Tungsten–Methylidene Formation on a W/ZSM‐5 Zeolite: The Metathesis Active Site” ChemPhysChem 16 (15), 3334-3339, 14 (2015)

(14) C. Raksakoon, T. Maihom, M. Probst, J. Limtrakul “Hydration of Carbon Dioxide in Copper-Alkoxide Functionalized Metal–Organic Frameworks: A DFT Study” Journal of Physical Chemistry C 119 (7), 3564-3571, 12 (2015)

2014

(13) T. Maihom, M. Probst, J. Limtrakul “Density Functional Theory Study of the Dehydrogenation of Ethanol to Acetaldehyde over the Au-Exchanged ZSM-5 Zeolite: Effect of Surface Oxygen” Journal of Physical Chemistry C 118 (32), 18564-18572, 9 (2014)

2008-2013

(12) T. Maihom, S. Wannakao, B. Boekfa, J. Limtrakul “Production of formic acid via hydrogenation of CO2 over a copper-alkoxide-functionalized MOF: A mechanistic study” Journal of Physical Chemistry C 117 (34), 17650-17658, 39 (2013).

(11) T. Maihom, E. Schuhfried, M. Probst, J. Limtrakul, T.D. Märk, F. Biasioli “Fragmentation of allylmethylsulfide by chemical ionization: dependence on humidity and inhibiting role of water” Journal of Physical Chemistry A 117 (24), 5149-5160, 2 (2013).

(10) T. Maihom, S. Wannakao, B. Boekfa, J. Limtrakul “Density functional study of the activity of gold-supported ZSM-5 zeolites for nitrous oxide decomposition” Chemical Physics Letters 556, 217-224, 16 (2013).

(9) T. Maihom, P. Khongpracha, J. Sirijaraensre, J. Limtrakul “Mechanistic Studies on the Transformation of Ethanol into Ethene over Fe‐ZSM‐5 Zeolite” ChemPhysChem 14 (1), 101-107, 31 (2013). (Cover art)

(8) T. Maihom, I. Sukuba, R. Janev, K. Becker, T. Märk, A. Kaiser, J. Limtrakul, J. Urban, P. Mach, M. Probst “Electron impact ionization cross sections of beryllium and beryllium hydrides” European Physical Journal D 67 (1), 2, 8, (2013).

(7) S. Wannakao, T. Nongnual, P. Khongpracha, T. Maihom, J. Limtrakul “Reaction mechanisms for CO catalytic oxidation by N2O on Fe-embedded graphene”Journal of Physical Chemistry C 116 (32), 16992-16998, 67 (2012).

(6) S. Choomwattana, T. Maihom, B. Boekfa, P. Pantu, J. Limtrakul “Density functional theory study on catalytic cracking of n‐hexane on heteropoly acid: A comparison with acidic zeolite” Canadian Journal of Chemical Engineering 90 (4), 865-872, 8 (2012).

(5) T. Maihom, S. Choomwattana, P. Khongpracha, M. Probst, J. Limtrakul “Formaldehyde Encapsulated in Lithium‐Decorated Metal‐Organic Frameworks: A Density Functional Theory Study” ChemPhysChem 13 (1), 245-249, 15 (2012).

(4) T. Maihom, P. Pantu, C. Tachakritikul, M. Probst, J. Limtrakul “Effect of the zeolite nanocavity on the reaction mechanism of n-hexane cracking: A density functional theory study” Journal of Physical Chemistry C 114 (17), 7850-7856, 44 (2010).

(3) T. Maihom, B. Boekfa, J. Sirijaraensre, T. Nanok, M. Probst, J. Limtrakul “Reaction mechanisms of the methylation of ethene with methanol and dimethyl ether over H-ZSM-5: An ONIOM study” Journal of Physical Chemistry C 113 (16), 6654-6662, 111 (2009).

(2) T. Maihom, S. Namuangruk, T. Nanok, J. Limtrakul “Theoretical study on structures and reaction mechanisms of ethylene oxide hydration over H-ZSM-5: ethylene glycol formation” Journal of Physical Chemistry C 112 (33), 12914-12920, 33 (2008).

(1) S. Choomwattana, T. Maihom, P. Khongpracha, M. Probst, J. Limtrakul “Structures and mechanisms of the carbonyl-ene reaction between MOF-11 encapsulated formaldehyde and propylene: An ONIOM study” Journal of Physical Chemistry C 112 (29), 10855-10861 (2008).