Zobrazeno 1 - 10
of 29
pro vyhledávání: '"Da-Yin Hua"'
Publikováno v:
The Journal of Physical Chemistry C. 123:4274-4281
On the basis of the first-principles calculation, single transition-metal (TM) atoms of first and second transition series are anchored on the β12 phase of the boron monolayer (BM) electrocatalyst ...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::2cad82bd352e9538516d61a958dc66ce
https://doi.org/10.1021/acs.jpcc.8b11696
https://doi.org/10.1021/acs.jpcc.8b11696
Publikováno v:
Physical Chemistry Chemical Physics. 19:29278-29286
The catalytic properties of the magic gold-platinum bimetallic clusters (Au4Pt2 and Au6Pt) for the reduction of SO2 by CO, without or with preadsorbing CO molecules, are firstly investigated using density functional theory calculations. We find that
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::a763d48e0ba2394bb6adc38eff93a62c
https://doi.org/10.1039/c7cp04740a
https://doi.org/10.1039/c7cp04740a
Publikováno v:
Computational and Theoretical Chemistry. 1090:157-164
We use inverse design of materials by multi-objective differential evolution (IM2ODE) method to globally search the most stable configurations of Au n , Au n - 1 Pt, Au n - 2 Pt 2 (n = 2–9) clusters. Combining with first-principles calculations, ba
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b8d386c6e07659370bdc51f4bf90e39c
https://doi.org/10.1016/j.comptc.2016.06.009
https://doi.org/10.1016/j.comptc.2016.06.009
Autor:
Ke Gao, Da-Yin Hua
Publikováno v:
Communications in Theoretical Physics. 55:1127-1131
We propose a modified susceptible-infected-refractory-susceptible (SIRS) model to investigate the global oscillations of the epidemic spreading in Watts—Strogatz (WS) small-world networks. It is found that when an individual immunity does not chang
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::bd21970903a3f349adfea32f89bd9ceb
https://doi.org/10.1088/0253-6102/55/6/30
https://doi.org/10.1088/0253-6102/55/6/30
Publikováno v:
Journal of Physics A: Mathematical and Theoretical. 40:11271-11276
In many social, economical and biological systems, the evolution of the states of interacting units cannot be simply treated with a physical law in the realm of traditional statistical mechanics. We propose a simple binary-state model to discuss the
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::1fe29aee2735ff398c6600b02ed0a0ca
https://doi.org/10.1088/1751-8113/40/37/005
https://doi.org/10.1088/1751-8113/40/37/005
Publikováno v:
Chinese Journal of Chemical Physics. 20:279-284
A lattice gas model was proposed to explore the effect of inert surface impurities on the oscillation in the NO+CO reaction system on Pt(100). It was found that when the fraction of the impurities is small, the (11) phase resulting from the surface r
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::c348be7bda74a111f41d74114dbcfdf2
https://doi.org/10.1088/1674-0068/20/03/279-284
https://doi.org/10.1088/1674-0068/20/03/279-284
Publikováno v:
Journal of Physics A: Mathematical and Theoretical. 40:4477-4482
We have investigated a rock–scissors–paper model with long-range-directed interactions in two dimensions where every site has four outgoing links but a fraction q of the outgoing links to the nearest neighbour sites are rewired to other long-dist
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::3d33f3531aa0df6375d13ffa018e0819
https://doi.org/10.1088/1751-8113/40/17/005
https://doi.org/10.1088/1751-8113/40/17/005
Publikováno v:
Journal of Physics A: Mathematical and General. 39:9671-9677
A lattice gas model is proposed for the A2 + 2B2 → 2B2A reaction system with particle diffusion. In the model, A2 dissociates in the random dimer-filling mechanism and B2 dissociation is in the end-on dimer-filling mechanism. A reactive window appe
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::df695ffaa997238378ab3b3ebba9dfa9
https://doi.org/10.1088/0305-4470/39/31/001
https://doi.org/10.1088/0305-4470/39/31/001
Publikováno v:
International Journal of Modern Physics B. 18:859-866
A simple irreversible surface reaction model first introduced by Ziff, Gulari and Barshad has been studied using Monte Carlo simulation. We determine the static critical exponents accurately which are in excellent agreement with those of directed per
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::44ac2ec4115f5d904fe2a3877b58b0d6
https://doi.org/10.1142/s0217979204024008
https://doi.org/10.1142/s0217979204024008
Publikováno v:
Journal of Physics: Condensed Matter. 14:10093-10103
We apply a comprehensive Monte Carlo simulation for the global oscillations in the CO catalytic oxidation system on the Pt(100) surface based on a well defined lattice gas model. The basic reactive steps of the present model follow the Langmuir?Hinsh
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::a8ccc62b9a7f49ad5c25f1d53b0e52a8
https://doi.org/10.1088/0953-8984/14/43/308
https://doi.org/10.1088/0953-8984/14/43/308