Zobrazeno 1 - 10
of 216
pro vyhledávání: '"Woellner, Cristiano"'
Recent experimental and computational studies have demonstrated that nanoconfinement profoundly alters the phase behavior of water, facilitating complex phase transitions at pressures and temperatures far lower than typically observed in bulk systems
Externí odkaz:
http://arxiv.org/abs/2410.05053
Autor:
Andrade, Isaac M. Felix Fabiano M., Woellner, Cristiano F., Galvao, Douglas S., Tromer, Raphael M.
In the present work, we have carried out DFT simulations to investigate the electronic and optical properties of a porphyrin-based 2D crystal named 2D Diboron-Porphyrin (2DDP). We showed that it is possible to use strain to tune the 2DDP electronic p
Externí odkaz:
http://arxiv.org/abs/2405.16627
Autor:
Ambekar, Rushikesh S., Bastos, Leonardo V., Galvao, Douglas S., Tiwary, Chandra S., Woellner, Cristiano F.
The topologically engineered complex Schwarzites architecture has been used to build novel and unique structural components with a high specific strength. The mechanical properties of these building blocks can be further tuned, reinforcing with stron
Externí odkaz:
http://arxiv.org/abs/2307.04540
Autor:
Bastos, Leonardo V., Ambekar, Rushikesh S., Tiwary, Chandra S., Galvao, Douglas S., Woellner, Cristiano F.
We carried out fully atomistic reactive molecular dynamics simulations to study the mechanical behavior of six newly proposed hybrid schwarzite-based structures (interlocked petal-schwarzites). Schwarzites are carbon crystalline nanostructures with n
Externí odkaz:
http://arxiv.org/abs/2307.02660
Autor:
Tromer, Raphael M., Felix, Levi C., Baughmann, Ray H., Galvao, Douglas S., Woellner, Cristiano F.
In this work, we propose a new methodology for obtaining 3D carbon allotrope structures from 2D ones through topological mapping. The idea is to select a 3D target structure and 'slice' it along different structural directions, creating a series of 2
Externí odkaz:
http://arxiv.org/abs/2301.11888
Autor:
Tromer, Raphael M., Felix, Isaac M., Felix, Levi C., Machado, Leonardo D., Woellner, Cristiano F., Galvao, Douglas S.
Hydrogen is a promising element for applications in new energy sources like fuel cells. One key issue for such applications is storing hydrogen. And, to improve storage capacity, understanding the interaction mechanism between hydrogen and possible s
Externí odkaz:
http://arxiv.org/abs/2301.11466
Schwarzites are porous structures that present negative Gaussian curvatures. Although initially proposed for carbon, in principle, schwarzites of other elements are possible. In this work, we have carried out a detailed investigation of the effect of
Externí odkaz:
http://arxiv.org/abs/2208.09514
Autor:
Felix, Isaac M., Andrade, Fabiano M., Woellner, Cristiano F., Galvão, Douglas S., Tromer, Raphael M.
Publikováno v:
In Chemical Physics Letters December 2024 856
Autor:
Demiss, Solomon, Tromer, Raphael, Siddique, Saif, Woellner, Cristiano F., Femi, Olu Emmanuel, Palit, Mithun, Roy, Ajit K., Pandey, Prafull, Galvao, Douglas S., Kumbhakar, Partha, Tiwary, Chandra Sekhar
Magnetism in semiconductor two-dimensional (2D) materials is gaining popularity due to its potential application in memory devices, sensors, spintronic and biomedical applications. Here, 2D Cobalt Telluride (CoTe) has been synthesized from its bulk c
Externí odkaz:
http://arxiv.org/abs/2109.02783
Autor:
Singh, Himanshu, Bastos, Leonardo V., Das, Diptava, Ambekar, Rushikesh S., Woellner, Cristiano, Pugno, Nicola M., Tiwary, Chandra Sekhar
Publikováno v:
In Additive Manufacturing 25 June 2024 90