Zobrazeno 1 - 10
of 32
pro vyhledávání: '"Leonardo, Spanu"'
Autor:
Xiao Chen, Xiaodong Gao, Pingfeng Yu, Leonardo Spanu, Jessica Hinojosa, Shuqi Zhang, Mingce Long, Pedro J. J. Alvarez, Caroline A. Masiello
Publikováno v:
Environmental Science & Technology. 57:128-138
Autor:
Adam Z. Weber, C. Buddie Mullins, Bryan R. Wygant, Alexis T. Bell, Julie C. Fornaciari, Darinka Primc, Leonardo Spanu, Kenta Kawashima, Sumit Verma
Publikováno v:
ACS Energy Letters. 5:2954-2963
Direct conversion of methane to methanol has been a long-sought objective. Partial oxidation by thermal catalysis is possible but suffers from a rapid loss in methanol selectivity with increasing m...
Autor:
Paulo J.M. Monteiro, Roya Maboudian, Wenxin Zhang, Jeffrey Heo, Jiaqi Li, David W. Gardner, Leonardo Spanu, Carlo Carraro
Publikováno v:
MRS Bulletin, vol 46, iss 8
Abstract Methane pyrolysis is an emerging technology to produce lower-carbon intensity hydrogen at scale, as long as the co-produced solid carbon is permanently captured. Partially replacing Portland cement with pyrolytic carbon would allow the seque
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::48e58c06223d38e23a31fefe0ecaff49
https://escholarship.org/uc/item/2cm117xg
https://escholarship.org/uc/item/2cm117xg
Publikováno v:
Catalysis Today. 312:174-180
Molecular dynamics was applied to simulate cobalt nanoparticles to understand the effects of particles size and crystal phases on the distribution of surfaces sites relevant for Fischer-Tropsch catalysis. The results indicate a minimal change (
Autor:
Nisha Mammen, Shobhana Narasimhan, Leonardo Spanu, Avik Halder, Michael J. Pellin, Stefan Vajda, Bing Yang, Eric C. Tyo, Sönke Seifert
Publikováno v:
European Journal of Inorganic Chemistry. 2018:16-22
Having the ability to tune the oxidation state of Cu nanoparticles is essential for their utility as catalysts. The degree of oxidation that maximizes product yield and selectivity is known to vary, depending on the particular reaction. Using first p
Publikováno v:
The Journal of Physical Chemistry C. 121:15880-15887
We present density functional theory calculations of the adsorption and migration energies of different cobalt moieties on the anatase (101) surface. Surface diffusion of active metal sites is a crucial step in the ripening mechanism, one of the prim
Autor:
Nisha, Mammen, Leonardo, Spanu, Eric C, Tyo, Bing, Yang, Avik, Halder, Sönke, Seifert, Michael J, Pellin, Stefan, Vajda, Shobhana, Narasimhan
Publikováno v:
Journal of physics. Condensed matter : an Institute of Physics journal. 31(14)
We have used ab initio density functional theory together with ab initio atomistic thermodynamics, and in situ x-ray absorption near edge spectroscopy (XANES) experiments, to study the oxidation of sub-nanometer clusters of Cu
Publikováno v:
Computational and Theoretical Chemistry. 1069:147-154
We confirmed how well the exchange–correlation functional vdW-DF2, with its non-local correlation part, describes the adsorption of CO on close-packed surfaces and clusters of Co, Ni, Cu, Ru, Rh, Pd, and Pt. The calculated adsorption energies are f