| 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 | 435 | 2012 |
| First-principles studies of H2S adsorption and dissociation on metal surfaces DR Alfonso Surface Science 602 (16), 2758-2768, 2008 | 215 | 2008 |
| Electrochemical carbon dioxide reduction at nanostructured gold, copper, and alloy materials JW Vickers, D Alfonso, DR Kauffman Energy Technology 5 (6), 775-795, 2017 | 140 | 2017 |
| 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 | 140 | 2003 |
| 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 | 133 | 2013 |
| 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 | 126 | 2014 |
| 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 | 122 | 2005 |
| 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 | 114 | 2016 |
| 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 | 99 | 2010 |
| Active sites of ligand-protected Au25 nanoparticle catalysts for CO2 electroreduction to CO D Alfonso, D Kauffman, C Matranga Journal of Chemical Physics 144, 184705, 2016 | 88 | 2016 |
| 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 | 88 | 1995 |
| Phonon modes of diamond (100) surfaces from ab initio calculations DR Alfonso, DA Drabold, SE Ulloa Physical Review B 51 (3), 1989, 1995 | 67 | 1995 |
| Hydrocarbon adsorption on a diamond (100) stepped surface DR Alfonso, SE Ulloa, DW Brenner Physical Review B 49 (7), 4948, 1994 | 67 | 1994 |
| Molecular-dynamics simulations of methyl-radical deposition on diamond (100) surfaces DR Alfonso, SE Ulloa Physical Review B 48 (16), 12235, 1993 | 56 | 1993 |
| Selective Electrocatalytic Reduction of CO2 into CO at Small, Thiol-Capped Au/Cu Nanoparticles DR Kauffman, DR Alfonso, DN Tafen, C Wang, Y Zhou, Y Yu, JW Lekse, ... The Journal of Physical Chemistry C 122 (49), 27991-28000, 2018 | 55 | 2018 |
| 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 | 55 | 2013 |
| First-principles study of sulfur overlayers on Pd (1 1 1) surface DR Alfonso Surface science 596 (1-3), 229-241, 2005 | 53 | 2005 |
| 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 | 52 | 2000 |
| 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 | 52 | 2000 |
| 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), 2014 | 49 | 2014 |
