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1.

Continuum Modeling of Porous Electrodes for Electrochemical Synthesis.

Bui, Justin C; Lees, Eric W; Pant, Lalit M; Zenyuk, Iryna V; Bell, Alexis T; Weber, Adam Z.

Chem Rev; 122(12): 11022-11084, 2022 06 22.

Artículo en Inglés | MEDLINE | ID: mdl-35507321

2.

Ethene Hydroformylation Catalyzed by Rhodium Dispersed with Zinc or Cobalt in Silanol Nests of Dealuminated Zeolite Beta.

Qi, Liang; Das, Sonali; Zhang, Yanfei; Nozik, Danna; Gates, Bruce C; Bell, Alexis T.

J Am Chem Soc; 145(5): 2911-2929, 2023 Feb 08.

Artículo en Inglés | MEDLINE | ID: mdl-36715296

3.

Engineering Catalyst-Electrolyte Microenvironments to Optimize the Activity and Selectivity for the Electrochemical Reduction of CO₂ on Cu and Ag.

Bui, Justin C; Kim, Chanyeon; King, Alex J; Romiluyi, Oyinkansola; Kusoglu, Ahmet; Weber, Adam Z; Bell, Alexis T.

Acc Chem Res; 55(4): 484-494, 2022 02 15.

Artículo en Inglés | MEDLINE | ID: mdl-35104114

4.

Mechanism and Kinetics of Acetone Conversion to Isobutene over Isolated Hf Sites Grafted to Silicalite-1 and SiO₂.

Zhang, Yanfei; Qi, Liang; Lund, Alicia; Lu, Peng; Bell, Alexis T.

J Am Chem Soc; 143(22): 8352-8366, 2021 06 09.

Artículo en Inglés | MEDLINE | ID: mdl-34041912

5.

Propane Dehydrogenation Catalyzed by Isolated Pt Atoms in ≡SiOZn-OH Nests in Dealuminated Zeolite Beta.

Qi, Liang; Babucci, Melike; Zhang, Yanfei; Lund, Alicia; Liu, Lingmei; Li, Jingwei; Chen, Yizhen; Hoffman, Adam S; Bare, Simon R; Han, Yu; Gates, Bruce C; Bell, Alexis T.

J Am Chem Soc; 143(50): 21364-21378, 2021 Dec 22.

Artículo en Inglés | MEDLINE | ID: mdl-34881868

6.

Siloxyaluminate and Siloxygallate Complexes as Models for Framework and Partially Hydrolyzed Framework Sites in Zeolites and Zeotypes.

Dombrowski, James P; Ziegler, Micah S; Phadke, Neelay M; Mansoor, Erum; Levine, Daniel S; Witzke, Ryan J; Head-Gordon, Martin; Bell, Alexis T; Tilley, T Don.

Chemistry; 27(1): 307-315, 2021 Jan 04.

Artículo en Inglés | MEDLINE | ID: mdl-32926472

7.

Challenges for density functional theory: calculation of CO adsorption on electrocatalytically relevant metals.

Lininger, Christianna N; Gauthier, Joseph A; Li, Wan-Lu; Rossomme, Elliot; Welborn, Valerie Vaissier; Lin, Zhou; Head-Gordon, Teresa; Head-Gordon, Martin; Bell, Alexis T.

Phys Chem Chem Phys; 23(15): 9394-9406, 2021 Apr 21.

Artículo en Inglés | MEDLINE | ID: mdl-33885049

8.

Few-Unit-Cell MFI Zeolite Synthesized using a Simple Di-quaternary Ammonium Structure-Directing Agent.

Lu, Peng; Ghosh, Supriya; Dorneles de Mello, Matheus; Kamaluddin, Huda Sharbini; Li, Xinyu; Kumar, Gaurav; Duan, Xuekui; Abeykoon, Milinda; Boscoboinik, J Anibal; Qi, Liang; Dai, Heng; Luo, Tianyi; Al-Thabaiti, Shaeel; Narasimharao, Katabathini; Khan, Zaheer; Rimer, Jeffrey D; Bell, Alexis T; Dauenhauer, Paul; Mkhoyan, K Andre; Tsapatsis, Michael.

Angew Chem Int Ed Engl; 60(35): 19214-19221, 2021 Aug 23.

Artículo en Inglés | MEDLINE | ID: mdl-34189811

9.

Ethanol Conversion to Butadiene over Isolated Zinc and Yttrium Sites Grafted onto Dealuminated Beta Zeolite.

Qi, Liang; Zhang, Yanfei; Conrad, Matthew A; Russell, Christopher K; Miller, Jeffrey; Bell, Alexis T.

J Am Chem Soc; 142(34): 14674-14687, 2020 08 26.

Artículo en Inglés | MEDLINE | ID: mdl-32787241

10.

Facing the Challenges of Borderline Oxidation State Assignments Using State-of-the-Art Computational Methods.

Gimferrer, Martí; Van der Mynsbrugge, Jeroen; Bell, Alexis T; Salvador, Pedro; Head-Gordon, Martin.

Inorg Chem; 59(20): 15410-15420, 2020 Oct 19.

Artículo en Inglés | MEDLINE | ID: mdl-33030893

11.

Electronic structure calculations permit identification of the driving forces behind frequency shifts in transition metal monocarbonyls.

Rossomme, Elliot; Lininger, Christianna N; Bell, Alexis T; Head-Gordon, Teresa; Head-Gordon, Martin.

Phys Chem Chem Phys; 22(2): 781-798, 2020 Jan 02.

Artículo en Inglés | MEDLINE | ID: mdl-31833489

12.

Mechanistic insights into electrochemical reduction of CO₂ over Ag using density functional theory and transport models.

Singh, Meenesh R; Goodpaster, Jason D; Weber, Adam Z; Head-Gordon, Martin; Bell, Alexis T.

Proc Natl Acad Sci U S A; 114(42): E8812-E8821, 2017 10 17.

Artículo en Inglés | MEDLINE | ID: mdl-28973926

13.

Mechanism and Kinetics of Propane Dehydrogenation and Cracking over Ga/H-MFI Prepared via Vapor-Phase Exchange of H-MFI with GaCl₃.

Phadke, Neelay M; Mansoor, Erum; Bondil, Matthieu; Head-Gordon, Martin; Bell, Alexis T.

J Am Chem Soc; 141(4): 1614-1627, 2019 Jan 30.

Artículo en Inglés | MEDLINE | ID: mdl-30586991

14.

Explaining the Incorporation of Oxygen Derived from Solvent Water into the Oxygenated Products of CO Reduction over Cu.

Clark, Ezra L; Wong, Jonathan; Garza, Alejandro J; Lin, Zhou; Head-Gordon, Martin; Bell, Alexis T.

J Am Chem Soc; 141(10): 4191-4193, 2019 03 13.

Artículo en Inglés | MEDLINE | ID: mdl-30798595

15.

Response to "Impact of Zeolite Structure on Entropic-Enthalpic Contributions to Alkane Monomolecular Cracking: An IR Operando Study".

Janda, Amber; Lin, Li-Chiang; Vlaisavljevich, Bess; Van der Mynsbrugge, Jeroen; Bell, Alexis T.

Chemistry; 25(29): 7225-7226, 2019 May 23.

Artículo en Inglés | MEDLINE | ID: mdl-31050069

16.

Direct Observation of the Local Reaction Environment during the Electrochemical Reduction of CO₂.

Clark, Ezra L; Bell, Alexis T.

J Am Chem Soc; 140(22): 7012-7020, 2018 06 06.

Artículo en Inglés | MEDLINE | ID: mdl-29756446

17.

Novel Strategies for the Production of Fuels, Lubricants, and Chemicals from Biomass.

Shylesh, Sankaranarayanapillai; Gokhale, Amit A; Ho, Christopher R; Bell, Alexis T.

Acc Chem Res; 50(10): 2589-2597, 2017 10 17.

Artículo en Inglés | MEDLINE | ID: mdl-28930430

18.

Understanding Brønsted-Acid Catalyzed Monomolecular Reactions of Alkanes in Zeolite Pores by Combining Insights from Experiment and Theory.

Van der Mynsbrugge, Jeroen; Janda, Amber; Lin, Li-Chiang; Van Speybroeck, Veronique; Head-Gordon, Martin; Bell, Alexis T.

Chemphyschem; 19(4): 341-358, 2018 02 19.

Artículo en Inglés | MEDLINE | ID: mdl-29239509

19.

Modeling gas-diffusion electrodes for CO₂ reduction.

Weng, Lien-Chun; Bell, Alexis T; Weber, Adam Z.

Phys Chem Chem Phys; 20(25): 16973-16984, 2018 Jun 27.

Artículo en Inglés | MEDLINE | ID: mdl-29900441

20.

Reaction mechanism of the selective reduction of CO₂ to CO by a tetraaza [Co^IIN₄H]²⁺ complex in the presence of protons.

Garza, Alejandro J; Pakhira, Srimanta; Bell, Alexis T; Mendoza-Cortes, Jose L; Head-Gordon, Martin.

Phys Chem Chem Phys; 20(37): 24058-24064, 2018 Sep 26.

Artículo en Inglés | MEDLINE | ID: mdl-30204173

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