Dominic Alfonso
Dominic Alfonso
E-mail confirmado em netl.doe.gov
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Experimental and Computational Investigation of Au25 Clusters and CO2: A Unique Interaction and Enhanced Electrocatalytic Activity
DR Kauffman, D Alfonso, C Matranga, H Qian, R Jin
Journal of the American Chemical Society 134 (24), 10237-10243, 2012
2452012
First-principles studies of H2S adsorption and dissociation on metal surfaces
DR Alfonso
Surface Science 602 (16), 2758-2768, 2008
1602008
Density functional theory studies of sulfur binding on Pd, Cu and Ag and their alloys
DR Alfonso, AV Cugini, DS Sholl
Surface Science 546 (1), 12-26, 2003
1252003
A Quantum Alloy: The Ligand-Protected Au25–xAgx(SR)18 Cluster
DR Kauffman, D Alfonso, C Matranga, H Qian, R Jin
The Journal of Physical Chemistry C 117 (15), 7914-7923, 2013
1022013
Adsorption and decomposition of H2S on Pd (1 1 1) surface: a first-principles study
DR Alfonso, AV Cugini, DC Sorescu
Catalysis Today 99 (3-4), 315-322, 2005
922005
Structural, electronic, and vibrational properties of diamond (100),(111), and (110) surfaces from ab initio calculations
DR Alfonso, DA Drabold, SE Ulloa
Physical Review B 51 (20), 14669, 1995
711995
Phonon modes of diamond (100) surfaces from ab initio calculations
DR Alfonso, DA Drabold, SE Ulloa
Physical Review B 51 (3), 1989, 1995
601995
Probing active site chemistry with differently charged Au 25 q nanoclusters (q=− 1, 0,+ 1)
DR Kauffman, D Alfonso, C Matranga, P Ohodnicki, X Deng, RC Siva, ...
Chemical Science 5 (8), 3151-3157, 2014
592014
Hydrocarbon adsorption on a diamond (100) stepped surface
DR Alfonso, SE Ulloa, DW Brenner
Physical Review B 49 (7), 4948, 1994
591994
Electrocatalytic oxygen evolution with an atomically precise nickel catalyst
DR Kauffman, D Alfonso, DN Tafen, J Lekse, C Wang, X Deng, J Lee, ...
Acs Catalysis 6 (2), 1225-1234, 2016
562016
Computational Investigation of FeS2 Surfaces and Prediction of Effects of Sulfur Environment on Stabilities
DR Alfonso
The Journal of Physical Chemistry C 114 (19), 8971-8980, 2010
552010
Molecular-dynamics simulations of methyl-radical deposition on diamond (100) surfaces
DR Alfonso, SE Ulloa
Physical Review B 48 (16), 12235, 1993
511993
Electrochemical carbon dioxide reduction at nanostructured gold, copper, and alloy materials
JW Vickers, D Alfonso, DR Kauffman
Energy Technology 5 (6), 775-795, 2017
472017
Periodic density functional LDA and GGA study of CO adsorption at the (001) surface of MgO
JA Snyder, DR Alfonso, JE Jaffe, Z Lin, AC Hess, M Gutowski
The Journal of Physical Chemistry B 104 (19), 4717-4722, 2000
472000
First-principles study of sulfur overlayers on Pd (1 1 1) surface
DR Alfonso
Surface science 596 (1-3), 229-241, 2005
462005
Opposite rumpling of the MgO and CaO (100) surfaces: A density-functional theory study
DR Alfonso, JA Snyder, JE Jaffe, AC Hess, M Gutowski
Physical Review B 62 (12), 8318, 2000
462000
First-principles studies on vacancy-modified interstitial diffusion mechanism of oxygen in nickel, associated with large-scale atomic simulation techniques
HZ Fang, SL Shang, Y Wang, ZK Liu, D Alfonso, DE Alman, YK Shin, ...
Journal of Applied Physics 115 (4), 043501, 2014
402014
Photomediated Oxidation of Atomically Precise Au25(SC2H4Ph)18 Nanoclusters
DR Kauffman, D Alfonso, C Matranga, G Li, R Jin
The Journal of Physical Chemistry Letters 4 (1), 195-202, 2013
402013
A flexible nudged elastic band program for optimization of minimum energy pathways using ab initio electronic structure methods
DR Alfonso, KD Jordan
Journal of computational chemistry 24 (8), 990-996, 2003
352003
Ab initio studies of hydrocarbon adsorption on stepped diamond surfaces
DR Alfonso, SH Yang, DA Drabold
Physical Review B 50 (20), 15369, 1994
311994
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