Excess Charge in Small Semiconductor Particles

Author(s):  
C. Luangdilok ◽  
D. Lawless ◽  
D. Meisel
2005 ◽  
Vol 11 (3-4) ◽  
pp. 38-47
Author(s):  
I.I. Zalyubovsky ◽  
◽  
V.M. Kartashev ◽  
V.E. Kovtun ◽  
A.V. Lebedev ◽  
...  

2020 ◽  
Author(s):  
Victor Kwan ◽  
Styliani Consta

<div>Charged droplets play a central role in native mass spectrometry, atmospheric aerosols and in serving as micro-reactors for accelerating chemical reactions. The surface excess charge layer in droplets has often been associated with distinct chemistry. Using molecular simulations for droplets with Na+ and Cl- ions we have found that this layer is ≈ 1.5−1.7 nm thick and depending on the droplet size it includes 33%-55% of the total number of ions. Here, we examine the effect of droplet size and nature of ions in the structure of the surface excess charge layer by using molecular dynamics. We find that in the presence of simple ions the thickness of the surface excess charge layer is invariant not only with respect to droplet size but also with respect to the nature of the simple ions and it is not sensitive to fine details of different force fields used in our simulations.</div><div> In the presence of macroions the excess surface charge layer may extend to 2.0. nm. For the same droplet size, iodide and model hydronium ions show considerably higher concentration than the sodium and chloride ions. <br></div><div>We also find that differences in the average water dipole orientation in the presence of cations and anions in this layer are reflected in the charge distributions. Within the surface charge layer, the number of hydrogen bonds reduces gradually relative to the droplet interior where the number of hydrogen bonds is on the average 2.9 for droplets of diameter < 4 nm and 3.5 for larger droplets. The decrease in the number of hydrogen bonds from the interior to the surface is less pronounced in larger droplets. In droplets with diameter < 4 nm and high concentration of ions the charge of the ions is not compensated only by the solvent polarization charge but by the total charge that also includes the other free charge. This finding shows exceptions to the commonly made assumption that the solvent compensates the charge of the ions in solvents with very high dielectric constant. The study provides molecular insight into the bi-layer droplet structure assumed in the equilibrium partitioning model of C. Enke and assesses critical assumptions of the Iribarne-Thomson model for the ion-evaporation mechanism. <br></div>


Author(s):  
Suresh. R ◽  
Ayesha Chithicka. U ◽  
Indumathi. A ◽  
Anandha Priyadharshini. V
Keyword(s):  

2018 ◽  
Vol 82 (5) ◽  
pp. 1187-1210
Author(s):  
Marie-Lola Pascal ◽  
Michel Fonteilles ◽  
Véronique Tournis ◽  
Benoît Baptiste ◽  
Jean-Louis Robert ◽  
...  

ABSTRACTBa-rich and Si-rich phlogopites occur in the talc-bearing rocks of the La Creuse sulfide ore deposit in Beaujolais, France. They form a group of compositions completely separated from the common Al-rich phlogopites that occur in the surrounding talc-free metasiltites and metarhyolites, with higher Ba and Mg and lower Al contents. The Ba-rich phlogopites have a relatively narrow compositional range (0.24 to 0.80 Ba per formula unit, for 44 valencies) with high and constant Si (5.8 atoms per formula unit, apfu) and Mg + Fe (5.6 apfu), probably buffered by the presence of talc. Compared to low-Al phlogopites from talc-free rocks, the excess charge introduced by the BaK–1 substitution is compensated by interlayer vacancies. Such a high level of interlayer vacancy (0.56 pfu), related to the talc-producing metasomatic conditions, is essential for the stability of this special group of Ba-rich and Si-rich phlogopites.Single crystal X-ray diffraction analyses were performed. Ba-rich and Si-rich phlogopite is monoclinic, space group C2/m, (R = 5.31%) with a = 5.3185(5), b = 9.2136(9), c = 10.1349(11) Å and β = 100.131(11)°. The occupancies of Mg/Fe and K/Ba were refined exploring different vacancies. The solutions giving the best R factor (4.77%) and goodness-of-fit (1.06) are obtained with 15% < vacancy < 40% at the interlayer site.


2010 ◽  
Vol 9 (6) ◽  
pp. 775 ◽  
Author(s):  
Axel G. Griesbeck ◽  
Melissa Reckenthäler ◽  
Johannes Uhlig

2018 ◽  
Vol 9 (1) ◽  
Author(s):  
Yuze Lin ◽  
Bo Chen ◽  
Yanjun Fang ◽  
Jingjing Zhao ◽  
Chunxiong Bao ◽  
...  

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