Zobrazeno 1 - 10
of 132
pro vyhledávání: '"Saini, Shikha"'
Publikováno v:
J. Phys. Mater. 4 015001 (2020)
Here we report a strategy, by taking a prototypical model system for photocatalysis (viz. N-doped (TiO$_2$)$_n$ clusters), to accurately determine low energy metastable structures that can play a major role with enhanced catalytic reactivity. Computa
Externí odkaz:
http://arxiv.org/abs/2006.07395
Publikováno v:
Scientific Reports 10, 15372 (2020)
TiO$_2$ and SrTiO$_3$ are well known materials in the field of photocatalysis due to their exceptional electronic structure, high chemical stability, non-toxicity and low cost. However, owing to the wide band gap, these can be utilized only in the UV
Externí odkaz:
http://arxiv.org/abs/2004.07433
Publikováno v:
The Journal of Physical Chemistry C 2020 124 (19), 10272-10279
Using the hybrid density functional theory and \textit{ab initio} atomistic thermodynamics, we report monodoping of non-metal (N) or metal (Mn) in SrTiO$_3$ can induce visible light absorption, but none of them are suitable to ameliorate the photocat
Externí odkaz:
http://arxiv.org/abs/1909.09623
Publikováno v:
Journal of Materials Chemistry C (2019)
TiO$_2$ anatase has its significant importance in energy and environmental research. However, the major drawback of this immensely popular semi-conductor is its large bandgap of 3.2 eV. Several non-metals have been doped experimentally for extending
Externí odkaz:
http://arxiv.org/abs/1905.10569
Autor:
Kalita, Parswajit, Saini, Shikha, Rajput, Parasmani, Jha, S. N., Bhattacharyya, D., Ojha, Sunil, Avasthi, Devesh K., Bhattacharya, Saswata, Ghosh, Santanu
We report the formation of cubic phase, under ambient conditions, in thin films of Zirconia synthesized by electron beam evaporation technique. The stabilization of the cubic phase was achieved without the use of chemical stabilizers and/or concurren
Externí odkaz:
http://arxiv.org/abs/1904.03972
Autor:
Saini, Shikha, Sarker, Debalaya, Basera, Pooja, Levchenko, Sergey V., Ghiringhelli, Luca M., Bhattacharya, Saswata
Publikováno v:
J. Phys. Chem. C 122, 16788 (2018)
Composition, atomic structure, and electronic properties of TM$_x$Mg$_y$O$_z$ clusters (TM = Cr, Ni, Fe, Co, $x+y \leq 3$) at realistic temperature $T$ and partial oxygen pressure $p_{\textrm{O}_2}$ conditions are explored using the {\em ab initio} a
Externí odkaz:
http://arxiv.org/abs/1804.01443
Autor:
Pathak, Shailesh, Saini, Shikha, Kondamudi, Kishore, Upadhyayula, Sreedevi *, Bhattacharya, Saswata *
Publikováno v:
In Applied Catalysis B: Environment and Energy 5 May 2021 284
Publikováno v:
In Materials Today: Proceedings 2021 34 Part 3:604-607
Publikováno v:
In Materials Today: Proceedings 2020 26 Part 1:134-137
Publikováno v:
In Materials Today: Proceedings 2020 26 Part 1:94-96