Zobrazeno 1 - 10
of 121
pro vyhledávání: '"Dobrota, Ana S."'
Understanding the reactivity of carbon surfaces is crucial for the development of advanced functional materials. In this study, we systematically investigate the reactivity of graphene surfaces with the Stone-Wales (SW) defect using Density Functiona
Externí odkaz:
http://arxiv.org/abs/2308.05425
Graphene is thought to be a promising materials for many applications. However, pristine graphene is not suitable for most electrochemical devices, where defect engineering is crucial for its performance. We demonstrate how boron doping of graphene c
Externí odkaz:
http://arxiv.org/abs/2307.02885
Single-atom catalysts (SACs) are rapidly developing in various application areas, including electrocatalysis of different reactions, usually taking place under harsh pH-electrode potential conditions. Thus, a full atomic-level understanding of the na
Externí odkaz:
http://arxiv.org/abs/2111.14269
The development of new electrochromic materials and devices, like smart windows, has an enormous impact on the energy efficiency of modern society. One of the crucial materials in this technology is nickel-oxide. Ni-deficient NiO shows anodic electro
Externí odkaz:
http://arxiv.org/abs/2108.08578
Pristine graphene interacts relatively weakly with Al, which is a specie of importance for novel generations of metal-ion batteries. We employ DFT calculations to explore the possibility of enhancing Al interaction with graphene. We investigate non-d
Externí odkaz:
http://arxiv.org/abs/2106.11636
Autor:
Novčić, Katarina A., Dobrota, Ana S., Petković, Milena, Johansson, Börje, Skorodumova, Natalia V., Mentus, Slavko V., Pašti, Igor A.
Understanding the reactions in M-O2 cells (M = Li or Na) is of great importance for further advancement of this promising technology. Computational modelling can be helpful along this way, but an adequate approach is needed to model such complex syst
Externí odkaz:
http://arxiv.org/abs/2006.12912
Akademický článek
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Autor:
Dobrota, Ana S., Pašti, Igor A., Mentus, Slavko V., Johansson, Börje, Skorodumova, Natalia V.
For carbon-based materials, in contrast to metal surfaces, the relationship between strain and reactivity is not yet established, even though there are literature reports on strained graphene. Knowledge of such relationships would be extremely benefi
Externí odkaz:
http://arxiv.org/abs/1910.11018
Autor:
Diklić, Nataša P., Dobrota, Ana S., Pašti, Igor A., Mentus, Slavko V., Johansson, Börje, Skorodumova, Natalia V.
Due to its unique physical and chemical properties, graphene is being considered as a promising material for energy conversion and storage applications. Introduction of functional groups and dopants on/in graphene is a useful strategy for tuning its
Externí odkaz:
http://arxiv.org/abs/1801.08389
Publikováno v:
In Materials Today Communications June 2022 31
