CaltechAUTHORS
  A Caltech Library Service

Items where Person is "Fortunelli-A"

Up a level
Export as [feed] Atom [feed] RSS 1.0 [feed] RSS 2.0
Group by: Date | Item Type | First Author | No Grouping
Jump to: 2019 | 2018 | 2017 | 2016 | 2015 | 2014 | 2007
Number of items: 22.

2019

Mcdonald, Molly and Fuller, Jon and Fortunelli, Alessandro et al. (2019) Highly Efficient Ni-Doped Iron Catalyst for Ammonia Synthesis from QM-Based Hierarchical High Throughput Catalyst Screening. Journal of Physical Chemistry C, 123 (28). pp. 17375-17383. ISSN 1932-7447. https://resolver.caltech.edu/CaltechAUTHORS:20190620-151929496

Fuller, Jon and Fortunelli, Alessandro and Goddard, William A., III et al. (2019) Reaction mechanism and kinetics for ammonia synthesis on the Fe(211) reconstructed surface. Physical Chemistry Chemical Physics, 21 (21). pp. 11444-11454. ISSN 1463-9076. https://resolver.caltech.edu/CaltechAUTHORS:20190521-110908971

Cheng, Tao and Fortunelli, Alessandro and Goddard, William A., III (2019) Reaction intermediates during operando electrocatalysis identified from full solvent quantum mechanics molecular dynamics. Proceedings of the National Academy of Sciences of the United States of America, 116 (16). pp. 7718-7722. ISSN 0027-8424. https://resolver.caltech.edu/CaltechAUTHORS:20190313-133027865

Qian, Jin and Fortunelli, Alessandro and Goddard, William A., III (2019) Effect of Co doping on mechanism and kinetics of ammonia synthesis on Fe(1 1 1) surface. Journal of Catalysis, 370 . pp. 364-371. ISSN 0021-9517. https://resolver.caltech.edu/CaltechAUTHORS:20190123-073842312

2018

An, Qi and Shen, Yidi and Fortunelli, Alessandro et al. (2018) QM-Mechanism-Based Hierarchical High-Throughput in silico Screening Catalyst Design for Ammonia Synthesis. Journal of the American Chemical Society, 140 (50). pp. 17702-17710. ISSN 0002-7863. https://resolver.caltech.edu/CaltechAUTHORS:20181127-103059641

Goddard, William and Cheng, Tao and Fortunelli, Alessandro (2018) QM metadynamics full solvent simulations of the oxygen reduction reaction (ORR); atomistic description of the electrode-electrolyte interface (EEI). In: 256th American Chemical Society National Meeting & Exposition, 19-23 August 2018, Boston, MA. https://resolver.caltech.edu/CaltechAUTHORS:20181101-133959334

Goddard, William A. and Fortunelli, Alessandro and Cheng, Tao (2018) The atomistic description of the electrolyte at the electrode-electrolyte interface (EEI). In: 256th American Chemical Society National Meeting & Exposition, 19-23 August 2018, Boston, MA. https://resolver.caltech.edu/CaltechAUTHORS:20181101-130251785

Qian, Jin and An, Qi and Fortunelli, Alessandro et al. (2018) Reaction mechanism and kinetics for ammonia synthesis on the Fe(111) Surface. Journal of the American Chemical Society, 140 (20). pp. 6288-6297. ISSN 0002-7863. https://resolver.caltech.edu/CaltechAUTHORS:20180427-105456274

Halder, Avik and Curtiss, Larry A. and Fortunelli, Alessandro et al. (2018) Perspective: Size selected clusters for catalysis and electrochemistry. Journal of Chemical Physics, 148 (11). Art. No. 110901. ISSN 0021-9606. https://resolver.caltech.edu/CaltechAUTHORS:20180327-073515488

Negreiros, Fabio R. and Halder, Avik and Yin, Chunrong et al. (2018) Bimetallic Ag-Pt Sub-nanometer Supported Clusters as Highly Efficient and Robust Oxidation Catalysts. Angewandte Chemie International Edition, 57 (5). pp. 1209-1213. ISSN 1433-7851. https://resolver.caltech.edu/CaltechAUTHORS:20180102-160055526

2017

Yin, Chunrong and Negreiros, Fabio R. and Barcaro, Giovanni et al. (2017) Alumina-supported sub-nanometer Pt_(10) clusters: amorphization and role of the support material in a highly active CO oxidation catalyst. Journal of Materials Chemistry A, 5 (10). pp. 4923-4931. ISSN 2050-7488. https://resolver.caltech.edu/CaltechAUTHORS:20170330-152134180

2016

Li, Mufan and Zhao, Zipeng and Cheng, Tao et al. (2016) Ultrafine jagged platinum nanowires enable ultrahigh mass activity for the oxygen reduction reaction. Science, 354 (6318). pp. 1414-1419. ISSN 0036-8075. https://resolver.caltech.edu/CaltechAUTHORS:20161121-104400912

Heyden, S. and Ortiz, M. and Fortunelli, A. (2016) All-atom molecular dynamics simulations of multiphase segregated polyurea under quasistatic, adiabatic, uniaxial compression. Polymer, 106 . pp. 100-108. ISSN 0032-3861. https://resolver.caltech.edu/CaltechAUTHORS:20161121-081314774

Sementa, Luca and Andreussi, Oliviero and Goddard, William A. et al. (2016) Catalytic activity of Pt_(38) in the oxygen reduction reaction from first-principles simulations. Catalysis Science and Technology, 2016 (18). pp. 6901-6909. ISSN 2044-4753. https://resolver.caltech.edu/CaltechAUTHORS:20160729-113609065

Fortunelli, Alessandro and Vajda, Stefan (2016) Editorial: Nanocatalysis. Catalysis Science and Technology, 6 (18). pp. 6763-6765. ISSN 2044-4753. https://resolver.caltech.edu/CaltechAUTHORS:20161020-100209925

An, Qi and Qian, Jin and Nielsen, Robert R. et al. (2016) The quantum mechanics derived atomistic mechanism underlying the acceleration of catalytic CO oxidation on Pt(110) by surface acoustic waves. Journal of Materials Chemistry A, 2016 (31). pp. 12036-12045. ISSN 2050-7488. https://resolver.caltech.edu/CaltechAUTHORS:20160725-135346889

2015

Fortunelli, Alessandro and Goddard, William A., III and Sementa, Luca et al. (2015) The atomistic origin of the extraordinary oxygen reduction activity of Pt_3Ni_7 fuel cell catalysts. Chemical Science, 6 (7). pp. 3915-3925. ISSN 2041-6520. PMCID PMC5707479. https://resolver.caltech.edu/CaltechAUTHORS:20150713-090615762

Fortunelli, Alessandro and Goddard, William A., III and Sementa, Luca et al. (2015) Optimizing the oxygen evolution reaction for electrochemical water oxidation by tuning solvent properties. Nanoscale, 7 (10). pp. 4514-4521. ISSN 2040-3372. https://resolver.caltech.edu/CaltechAUTHORS:20150410-125905534

2014

Sementa, Luca and Barcaro, Giovanni and Negreiros, Fabio R. et al. (2014) Ligand/cluster/support catalytic complexes in heterogeneous ultrananocatalysis: NO oxidation on Ag_3/MgO(100). Physical Chemistry Chemical Physics, 16 (48). pp. 26570-26577. ISSN 1463-9076. https://resolver.caltech.edu/CaltechAUTHORS:20150105-150540555

Fortunelli, Alessandro and Goddard, William A., III and Sha, Yao et al. (2014) Dramatic Increase in the Oxygen Reduction Reaction for Platinum Cathodes from Tuning the Solvent Dielectric Constant. Angewandte Chemie International Edition, 53 (26). pp. 6669-6672. ISSN 1433-7851. https://resolver.caltech.edu/CaltechAUTHORS:20140603-152723913

Goddard, William A., III and Merinov, Boris and Tsai, Ho-Cheng et al. (2014) First principles based theory and applications to understanding and developing improved catalysts and membranes for fuel cells. In: 247th ACS National Meeting & Exposition, 16-20 March 2014, Dallas, TX. https://resolver.caltech.edu/CaltechAUTHORS:20140423-111155116

2007

Fortunelli, A. and Ortiz, M. (2007) Constitutive model for plasticity in an amorphous polycarbonate. Physical Review E, 76 (4). Art. No. 041806. ISSN 1539-3755. https://resolver.caltech.edu/CaltechAUTHORS:FORpre07

This list was generated on Tue Mar 31 12:53:19 2020 PDT.