Zobrazeno 1 - 10
of 19
pro vyhledávání: '"Michele Cutini"'
Publikováno v:
JPhys Materials, Vol 7, Iss 2, p 025013 (2024)
The ability to tune band gaps of semiconductors is important for many optoelectronics applications including photocatalysis. A common approach to this is doping, but this often has the disadvantage of introducing defect states in the electronic struc
Externí odkaz:
https://doaj.org/article/da350f2c8035455aa3babd66fdb78fb6
Publikováno v:
ACS Omega, Vol 4, Iss 1, Pp 1838-1846 (2019)
Externí odkaz:
https://doaj.org/article/5310e973f02944eaa273f5d7418abb53
Publikováno v:
Carbon. 203:601-610
Diamond-based coatings are employed in several technological applications, for their outstanding mechanical properties, biocompatibility, and chemical stability. Of significant relevance is the interface with silicon oxide, where phenomena of adhesio
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::501f4c2a0564496bfc21855d9bec4169
https://doi.org/10.1016/j.carbon.2022.11.074
https://doi.org/10.1016/j.carbon.2022.11.074
Nanoscale MXene Interlayer and Substrate Adhesion for Lubrication: A Density Functional Theory Study
Publikováno v:
ACS Applied Nano Materials. 5:10516-10527
Understanding the interlayer interaction at the nanoscale in two-dimensional (2D) transition metal carbides and nitrides (MXenes) is important to improve their exfoliation/delamination process and application in (nano)-tribology. The layer-substrate
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9e8eefd42fedddc4a894f3b889cab5f7
https://doi.org/10.1021/acsanm.2c01847
https://doi.org/10.1021/acsanm.2c01847
Autor:
Philipp G. Grützmacher, Michele Cutini, Edoardo Marquis, Manel Rodríguez Ripoll, Helmut Riedl, Philip Kutrowatz, Stefan Bug, Chia‐Jui Hsu, Johannes Bernardi, Maria Clelia Righi, Carsten Gachot, Ali Erdemir
Publikováno v:
Advanced Materials.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::05ee7c9f960d2d48aebe6790e30548aa
https://doi.org/10.1002/adma.202302076
https://doi.org/10.1002/adma.202302076
Publikováno v:
Journal of Chemical Theory and Computation. 17:2566-2574
Collagen proteins are spread in almost every vertebrate's tissue with mechanical function. The defining feature of this fundamental family of proteins is its well-known collagen triple-helical domain. This helical domain can have different geometries
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6c0ebef51f170837e4a61cbd2bc4dbce
https://doi.org/10.1021/acs.jctc.1c00015
https://doi.org/10.1021/acs.jctc.1c00015
Autor:
Ton V. W. Janssens, Gloria Berlier, Tommaso Selleri, Silvia Bordiga, Michele Cutini, Elisa Borfecchia, Chiara Negri, Andrea Martini, Kirill A. Lomachenko
Publikováno v:
Journal of the American Chemical Society
The NH3-mediated selective catalytic reduction (NH3-SCR) of NOx over Cu-ion-exchanged chabazite (Cu-CHA) catalysts is the basis of the technology for abatement of NOx from diesel vehicles. A crucial step in this reaction is the activation of oxygen.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ada34438e5f8f048595f4b27233e768f
http://europepmc.org/articles/PMC8011910
http://europepmc.org/articles/PMC8011910
Autor:
Piero Ugliengo, Michele Cutini
Publikováno v:
The Journal of chemical physics. 155(7)
In this paper, we have studied the vibrational spectral features for the collagen triple helix using a dispersion corrected hybrid density functional theory (DFT-D) approach. The protein is simulated by an infinite extended polymer both in the gas ph
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ce807a6949d7e289dd8b25cfa1383659
https://pubmed.ncbi.nlm.nih.gov/34418922
https://pubmed.ncbi.nlm.nih.gov/34418922
Publikováno v:
The Journal of Physical Chemistry B. 123:7354-7364
Collagen is a protein family defined by a triple helix motif, which comprises roughly one-third of the total human protein content. Decoding the reasons underlying the stability of the collagen triple helix is of both fundamental and applicative rele
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9ff30be04c8f46111d9fabbd153bee40
https://doi.org/10.1021/acs.jpcb.9b05222
https://doi.org/10.1021/acs.jpcb.9b05222
Publikováno v:
Journal of Chemical Theory and Computation
In this work, we have computed the exfoliation energy (the energy required to separate a single layer from the bulk structure), the interlayer distance, and the thermodynamic state functions for representative layered inorganic minerals such as Bruci
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::167023ee4cb0718e12e42585e2f8d5cf
http://hdl.handle.net/2318/1766414
http://hdl.handle.net/2318/1766414
