Chemistry
Listando 22 trabajos del autor/autora 38
Lista de trabajos en el área Chemistry
Mentions
18
Twitter
0
Wikipedia
1
News
0
Policy
Article
Controlling pairing of pi-conjugated electrons in 2D covalent organic radical frameworks via in-plane strain
Alcon, Isaac; Santiago, Raul; Ribas-Arino, Jordi; Deumal, Merce; Moreira, Iberio de P. R.; Bromley, Stefan T.
NATURE COMMUNICATIONS
(2021)
DOI /
10.1038/s41467-021-21885-y
Green published, Gold
Mentions
9
Twitter
0
Wikipedia
0
News
0
Policy
Article
2D Hexagonal Covalent Organic Radical Frameworks as Tunable Correlated Electron Systems
Santiago, Raul; Alcon, Isaac; Ribas-Arino, Jordi; Deumal, Merce; Moreira, Iberio de P. R.; Bromley, Stefan T.
ADVANCED FUNCTIONAL MATERIALS
1616-301X (2020)
DOI /
10.1002/adfm.202004584
Green accepted
Mentions
1
Twitter
0
Wikipedia
2
News
0
Policy
Article
Size dependent structural and polymorphic transitions in ZnO: from nanocluster to bulk
Vines, Francesc; Lamiel-Garcia, Oriol; Illas, Francesc; Bromley, Stefan T.
NANOSCALE
2040-3364 (2017)
DOI /
10.1039/c7nr02818k
Green accepted, Hybrid
Mentions
9
Twitter
0
Wikipedia
0
News
0
Policy
Article
Design of multi-functional 2D open-shell organic networks with mechanically controllable properties
Alcon, Isaac; Reta, Daniel; Moreira, Iberio de P. R.; Bromley, Stefan T.
CHEMICAL SCIENCE
2041-6520 (2017)
DOI /
10.1039/c6sc01412g
Green published, Gold
Mentions
3
Twitter
0
Wikipedia
1
News
0
Policy
Article
When Anatase Nanoparticles Become Bulklike: Properties of Realistic TiO2 Nanoparticles in the 1-6 nm Size Range from All Electron Relativistic Density Functional Theory Based Calculations
Lamiel-Garcia, Oriol; Ko, Kyoung Chul; Lee, Jin Yong; Bromley, Stefan T.; Illas, Francesc
JOURNAL OF CHEMICAL THEORY AND COMPUTATION
1549-9618 (2017)
DOI /
10.1021/acs.jctc.7b00085
Green accepted
Mentions
29
Twitter
0
Wikipedia
0
News
0
Policy
Article
Electronic, Structural and Functional Versatility in Tetrathiafulvalene-Lanthanide Metal-Organic Frameworks
Castells-Gil, Javier; Manas-Valero, Samuel; Vitorica-Yrezabal, Inigo J.; Ananias, Duarte; Rocha, Joao; Santiago, Raul; Bromley, Stefan T.; Baldovi, Jose J.; Coronado, Eugenio; Souto, Manuel; Minguez Espallargas, Guillermo
CHEMISTRY-A EUROPEAN JOURNAL
0947-6539 (2019)
DOI /
10.1002/chem.201902855
Green published, Green submitted
Mentions
16
Twitter
0
Wikipedia
0
News
0
Policy
Article
Room Temperature Methane Capture and Activation by Ni Clusters Supported on TiC(001): Effects of Metal-Carbide Interactions on the Cleavage of the C-H Bond
Prats, Hector; Gutierrez, Ramon A.; Jose Pinero, Juan; Vines, Francesc; Bromley, Stefan T.; Ramirez, Pedro J.; Rodriguez, Jose A.; Illas, Francesc
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
0002-7863 (2019)
DOI /
10.1021/jacs.8b13552
Green accepted, Green submitted
Mentions
21
Twitter
0
Wikipedia
0
News
0
Policy
Article
Understanding the nature and location of hydroxyl groups on hydrated titania nanoparticles
Mino, Lorenzo; Morales-Garcia, Angel; Bromley, Stefan T.; Illas, Francesc
NANOSCALE
2040-3364 (2021)
DOI /
10.1039/d1nr00610j
Mentions
12
Twitter
0
Wikipedia
0
News
0
Policy
Article
How Does Temperature Affect the Infrared Vibrational Spectra of Nanosized Silicate Dust?
Marinoso Guiu, Joan; Macia Escatllar, Antoni; Bromley, Stefan T.
ACS EARTH AND SPACE CHEMISTRY
2472-3452 (2021)
DOI /
10.1021/acsearthspacechem.0c00341
Mentions
10
Twitter
0
Wikipedia
0
News
0
Policy
Article
Neutral Organic Radical Formation by Chemisorption on Metal Surfaces
Ajayakumar, M. R.; Moreno, Cesar; Alcon, Isaac; Illas, Francesc; Rovira, Concepcio; Veciana, Jaume; Bromley, Stefan T.; Mugarza, Aitor; Mas-Torrent, Marta
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
1948-7185 (2020)
DOI /
10.1021/acs.jpclett.0c00269
Green accepted
Mentions
9
Twitter
0
Wikipedia
0
News
0
Policy
Article
Structure and Properties of Nanosilicates with Olivine (Mg2SiO4)(N) and Pyroxene (MgSiO3)(N) Compositions
Macia Escatllar, Antoni; Lazaukas, Tomas; Woodley, Scott M.; Bromley, Stefan T.
ACS EARTH AND SPACE CHEMISTRY
2472-3452 (2019)
DOI /
10.1021/acsearthspacechem.9b00139
Green published, Hybrid
Mentions
6
Twitter
0
Wikipedia
0
News
0
Policy
Article
What Can Infrared Spectra Tell Us about the Crystallinity of Nanosized Interstellar Silicate Dust Grains?
Zamirri, Lorenzo; Macia Escatllar, Antoni; Marinoso Guiu, Joan; Ugliengo, Piero; Bromley, Stefan T.
ACS EARTH AND SPACE CHEMISTRY
2472-3452 (2019)
DOI /
10.1021/acsearthspacechem.9b00157
Mentions
3
Twitter
0
Wikipedia
0
News
0
Policy
Article
Study of the E-Z stilbene isomerisation in perchlorotriphenyl-methane (PTM) derivatives
Bejarano, F.; Alcon, I.; Crivillers, N.; Mas-Torrent, M.; Bromley, S. T.; Veciana, J.; Rovira, C.
RSC ADVANCES
(2017)
DOI /
10.1039/c6ra28618f
Green submitted, Green published, Gold
Mentions
6
Twitter
0
Wikipedia
0
News
0
Policy
Article
Understanding the interplay between size, morphology and energy gap in photoactive TiO2 nanoparticles
Morales-Garcia, Angel; Macia Escatllar, Antoni; Illas, Francesc; Bromley, Stefan T.
NANOSCALE
2040-3364 (2019)
DOI /
10.1039/c9nr00812h
Green accepted
Mentions
3
Twitter
0
Wikipedia
0
News
0
Policy
Article
Direct covalent grafting of an organic radical core on gold and silver
Ajayakumar, M. R.; Alcon, I.; Bromley, S. T.; Veciana, J.; Rovira, C.; Mas-Torrent, M.
RSC ADVANCES
(2017)
DOI /
10.1039/c7ra01686g
Gold
Mentions
4
Twitter
0
Wikipedia
0
News
0
Policy
Article
Oxygen Vacancies in Oxide Nanoclusters: When Silica Is More Reducible Than Titania
Cuko, Andi; Bromley, Stefan T.; Calatayud, Monica
FRONTIERS IN CHEMISTRY
2296-2646 (2019)
DOI /
10.3389/fchem.2019.00037
Green published, Gold
Mentions
4
Twitter
0
Wikipedia
0
News
0
Policy
Article
Understanding H-2 Formation on Hydroxylated Pyroxene Nanoclusters: Ab Initio Study of the Reaction Energetics and Kinetics
Kerkeni, Boutheina; Bacchus-Montabonel, Marie-Christine; Shan, Xiao; Bromley, Stefan T.
JOURNAL OF PHYSICAL CHEMISTRY A
1089-5639 (2019)
DOI /
10.1021/acs.jpca.9b06713
Mentions
3
Twitter
0
Wikipedia
0
News
0
Policy
Article
Efficient preparation of TiO2 nanoparticle models using interatomic potentials
Macia Escatllar, Antoni; Morales-Garcia, Angel; Illas, Francesc; Bromley, Stefan T.
JOURNAL OF CHEMICAL PHYSICS
0021-9606 (2019)
DOI /
10.1063/1.5095071
Mentions
1
Twitter
0
Wikipedia
0
News
0
Policy
Article
A global optimisation study of the low-lying isomers of the alumina octomer (Al2O3)(8)
Gobrecht, David; Decin, Leen; Cristallo, Sergio; Bromley, Stefan T.
CHEMICAL PHYSICS LETTERS
0009-2614 (2018)
DOI /
10.1016/j.cplett.2018.09.018
Green submitted
Mentions
1
Twitter
0
Wikipedia
0
News
0
Policy
Article
Stability of mixed-oxide titanosilicates: dependency on size and composition from nanocluster to bulk
Cuko, Andi; Calatayud, Monica; Bromley, Stefan T.
NANOSCALE
2040-3364 (2018)
DOI /
10.1039/c7nr05758j
Green submitted
Mentions
1
Twitter
0
Wikipedia
0
News
0
Policy
Article
Size-Dependent Level Alignment between Rutile and Anatase TiO2 Nanoparticles: Implications for Photocatalysis
Ko, Kyoung Chul; Bromley, Stefan T.; Lee, Jin Yong; Illas, Francesc
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
1948-7185 (2017)
DOI /
10.1021/acs.jpclett.7b02474
Mentions
1
Twitter
0
Wikipedia
0
News
0
Policy
Article
Development of Interatomic Potentials for Supported Nanoparticles: The Cu/ZnO Case
Mora-Fonz, David; Lazauskas, Tomas; Woodley, Scott M.; Bromley, Stefan T.; Catlow, C. Richard A.; Sokol, Alexey A.
JOURNAL OF PHYSICAL CHEMISTRY C
1932-7447 (2017)
DOI /
10.1021/acs.jpcc.7b04502
Green published, Hybrid
