The Impact of Nanostructuring on the Thermal Conductivity of Thermoelectric CoSb3 MS Toprak, C Stiewe, D Platzek, S Williams, L Bertini, E Müller, C Gatti, ... Advanced Functional Materials 14 (12), 1189-1196, 2004 | 348 | 2004 |
Chemical information from the source function C Gatti, F Cargnoni, L Bertini Journal of computational chemistry 24 (4), 422-436, 2003 | 193 | 2003 |
Interstitial Zn Atoms Do the Trick in Thermoelectric Zinc Antimonide, Zn4Sb3: A Combined Maximum Entropy Method X‐ray Electron Density and Ab Initio … F Cargnoni, E Nishibori, P Rabiller, L Bertini, GJ Snyder, M Christensen, ... Chemistry–A European Journal 10 (16), 3861-3870, 2004 | 180 | 2004 |
Thermoelectrics Handbook: Macro to Nano H Scherrer, DM Rowe, T Kajikawa, K Matsubara, JP Issi, HJ Goldsmid, ... CRC press, 2018 | 125 | 2018 |
Insights into the Mechanism of Electrocatalytic Hydrogen Evolution Mediated by Fe2(S2C3H6)(CO)6: The Simplest Functional Model of the Fe-Hydrogenase … C Greco, G Zampella, L Bertini, M Bruschi, P Fantucci, L De Gioia Inorganic chemistry 46 (1), 108-116, 2007 | 118 | 2007 |
Nanostructured Co1− xNixSb3 skutterudites: synthesis, thermoelectric properties, and theoretical modeling L Bertini, C Stiewe, M Toprak, S Williams, D Platzek, A Mrotzek, Y Zhang, ... Journal of applied physics 93 (1), 438-447, 2003 | 114 | 2003 |
Nanostructured Co1− xNix (Sb1− yTey) 3 skutterudites: Theoretical modeling, synthesis and thermoelectric properties C Stiewe, L Bertini, M Toprak, M Christensen, D Platzek, S Williams, ... Journal of Applied Physics 97 (4), 2005 | 104 | 2005 |
Catalytic mechanism of fungal lytic polysaccharide monooxygenases investigated by first-principles calculations L Bertini, R Breglia, M Lambrughi, P Fantucci, L De Gioia, M Borsari, ... Inorganic chemistry 57 (1), 86-97, 2018 | 100 | 2018 |
CO disrupts the reduced H-cluster of FeFe hydrogenase. A combined DFT and protein film voltammetry study C Baffert, L Bertini, T Lautier, C Greco, K Sybirna, P Ezanno, E Etienne, ... Journal of the American Chemical Society 133 (7), 2096-2099, 2011 | 86 | 2011 |
Guest–Framework Interaction in Type I Inorganic Clathrates with Promising Thermoelectric Properties: On the Ionic versus Neutral Nature of the Alkaline‐Earth Metal Guest A in A8Ga … C Gatti, L Bertini, NP Blake, BB Iversen Chemistry–A European Journal 9 (18), 4556-4568, 2003 | 83 | 2003 |
Unsensitized photochemical hydrogen production catalyzed by diiron hydrides W Wang, TB Rauchfuss, L Bertini, G Zampella Journal of the American Chemical Society 134 (10), 4525-4528, 2012 | 81 | 2012 |
The impact of the actual geometrical structure of a thermoelectric material on its electronic transport properties: The case of doped skutterudite systems L Bertini, C Gatti The Journal of chemical physics 121 (18), 8983-8989, 2004 | 63 | 2004 |
The local form of the source function as a fingerprint of strong and weak intra-and intermolecular interactions C Gatti, L Bertini Acta Crystallographica Section A: Foundations of Crystallography 60 (5), 438-449, 2004 | 61 | 2004 |
Chemical insight into electron density and wave functions: software developments and applications to crystals, molecular complexes and materials science L Bertini, F Cargnoni, C Gatti Theoretical Chemistry Accounts 117, 847-884, 2007 | 55 | 2007 |
DFT Dissection of the Reduction Step in H2 Catalytic Production by [FeFe]-Hydrogenase-Inspired Models: Can the Bridging Hydride Become More Reactive Than … G Filippi, F Arrigoni, L Bertini, L De Gioia, G Zampella Inorganic Chemistry 54 (19), 9529-9542, 2015 | 51 | 2015 |
Photocatalytic hydrogen evolution driven by [FeFe] hydrogenase models tethered to fluorene and silafluorene sensitizers R Goy, L Bertini, T Rudolph, S Lin, M Schulz, G Zampella, B Dietzek, ... Chemistry–A European Journal 23 (2), 334-345, 2017 | 46 | 2017 |
Functionally Relevant Interplay between the Fe4S4 Cluster and CN− Ligands in the Active Site of [FeFe]-Hydrogenases M Bruschi, C Greco, L Bertini, P Fantucci, U Ryde, LD Gioia Journal of the American Chemical Society 132 (14), 4992-4993, 2010 | 42 | 2010 |
A sterically stabilized Fe I–Fe I semi-rotated conformation of [FeFe] hydrogenase subsite model R Goy, L Bertini, C Elleouet, H Görls, G Zampella, J Talarmin, L De Gioia, ... Dalton transactions 44 (4), 1690-1699, 2015 | 40 | 2015 |
Borromean binding in with Yukawa potential: A nonadiabatic quantum Monte Carlo study L Bertini, M Mella, D Bressanini, G Morosi Physical Review A—Atomic, Molecular, and Optical Physics 69 (4), 042504, 2004 | 40 | 2004 |
Mechanistic Insight into Electrocatalytic H2 Production by [Fe2(CN){μ-CN(Me)2}(μ-CO)(CO)(Cp)2]: Effects of Dithiolate Replacement in [FeFe] Hydrogenase Models F Arrigoni, L Bertini, L De Gioia, A Cingolani, R Mazzoni, V Zanotti, ... Inorganic Chemistry 56 (22), 13852-13864, 2017 | 39 | 2017 |