Zobrazeno 1 - 10
of 72
pro vyhledávání: '"Veronica, Barone"'
Publikováno v:
Nano Express, Vol 5, Iss 1, p 015028 (2024)
The design of efficient single-atom catalysts (SACs) with optimal activity and selectivity for sustainable energy and environmental applications remains a challenge. In this work, comprehensive first-principles calculations are performed to validate
Externí odkaz:
https://doaj.org/article/c5b879d1f8024c1aad8210afe0d8b792
Autor:
Choon Young Lee, Ajit Sharma, Julius Semenya, Charles Anamoah, Kelli N. Chapman, Veronica Barone
Publikováno v:
Antioxidants, Vol 9, Iss 3, p 189 (2020)
Antioxidants are an important component of our ability to combat free radicals, an excess of which leads to oxidative stress that is related to aging and numerous human diseases. Oxidative damage also shortens the shelf-life of foods and other commod
Externí odkaz:
https://doaj.org/article/65a5ac6e44274f5ebceba620b2967cde
Autor:
Isaiah A. Moses, Veronica Barone
Publikováno v:
RSC Advances. 11:5773-5784
In this work, we present the optimized geometric stacking of several layered nanoporous organic nanocrystals (NONs) and the stacking effect on their electronic structure. Hexagonal layered structures, C12H6-h2D, B6N6H6-h2D and C6N6-h2D are built from
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a28d0f92b5fd8c3e153369f0fbca7041
https://doi.org/10.1039/d0ra08856k
https://doi.org/10.1039/d0ra08856k
Autor:
Isaiah A. Moses, Veronica Barone
Publikováno v:
Carbon. 152:128-133
Encouraged by the developments in the synthesis of novel two-dimensional (2D) materials through bottom-up approaches, we investigate the structural properties and stability of a variety of 2D monolayers constructed from aromatic six-membered rings us
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::99f35864b2feaa83efb3d23a8b3582df
https://doi.org/10.1016/j.carbon.2019.05.068
https://doi.org/10.1016/j.carbon.2019.05.068
Autor:
Veronica Barone, Jesse Eickholt, Juan E. Peralta, Rajendra P. Joshi, Liling Li, Marco Fornari
Publikováno v:
ACS Applied Materials & Interfaces. 11:18494-18503
Machine learning (ML) techniques have rapidly found applications in many domains of materials chemistry and physics where large data sets are available. Aiming to accelerate the discovery of materials for battery applications, in this work, we develo
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9f069d956c170189368b578c0608de6a
https://doi.org/10.1021/acsami.9b04933
https://doi.org/10.1021/acsami.9b04933
Publikováno v:
Materials Chemistry and Physics. 227:347-351
We have studied the effects of Sn substitutional doping in anatase using a screened exchange density functional. We observe almost no change in the electronic structure of anatase and only small changes in morphology due to Sn doping. Upon Li inserti
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::896e4272bbe9c00b77809fe31e958481
https://doi.org/10.1016/j.matchemphys.2019.02.020
https://doi.org/10.1016/j.matchemphys.2019.02.020
Publikováno v:
Journal of Power Sources. 546:231977
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::e5001507c1eb45d937cc16992d435bcd
https://doi.org/10.1016/j.jpowsour.2022.231977
https://doi.org/10.1016/j.jpowsour.2022.231977
Autor:
Veronica Barone, Kelli N. Chapman, Ajit Sharma, Charles Anamoah, Julius Semenya, Choon Young Lee
Publikováno v:
Antioxidants
Volume 9
Issue 3
Antioxidants, Vol 9, Iss 3, p 189 (2020)
Volume 9
Issue 3
Antioxidants, Vol 9, Iss 3, p 189 (2020)
Antioxidants are an important component of our ability to combat free radicals&mdash
an excess of which leads to oxidative stress, which is related to aging and numerous human diseases. Oxidative damage also shortens the shelf-life of foods and
an excess of which leads to oxidative stress, which is related to aging and numerous human diseases. Oxidative damage also shortens the shelf-life of foods and
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::eb17cc96d4352386c75767f610e03db6
Autor:
Choon Young, Lee, Ajit, Sharma, Julius, Semenya, Charles, Anamoah, Kelli N, Chapman, Veronica, Barone
Publikováno v:
Antioxidants
Antioxidants are an important component of our ability to combat free radicals, an excess of which leads to oxidative stress that is related to aging and numerous human diseases. Oxidative damage also shortens the shelf-life of foods and other commod
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::90ede0fd9b8b80f9e8939cb87ea65edd
https://pubmed.ncbi.nlm.nih.gov/32106494
https://pubmed.ncbi.nlm.nih.gov/32106494
Autor:
Veronica Barone
Publikováno v:
Computational Materials Science. 152:337-340
We present a detailed analysis of stability and voltages of Li insertion in anatase using screened-exchange hybrid DFT calculations. Li insertion is studied for a range of compositions in LixTiO2 with 0 ⩽ x ⩽ 1 . Our calculations indicate that wh
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::9ee6af505fd523f39c063a5f0e3098c9
https://doi.org/10.1016/j.commatsci.2018.06.015
https://doi.org/10.1016/j.commatsci.2018.06.015