Photo-EPR studies of electron and hole trapping by [Fe(CN)<sub>6</sub>]<sup>4-</sup>complexes in silver chloride

Olm, M. T.; Eachus, R. S.

doi:10.1080/10420159508229815

Cited by 4 publications

(16 citation statements)

References 6 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…The other two configurations that have the largest binding energies are (200) (2̄00) and (1̄1̄0) (200). As mentioned earlier, the (200) (2̄00) divacancy configuration has been identified experimentally. , This level of calculation agrees with experiment on the stability of the (200) (2̄00) configuration in AgCl. For AgBr, these three divacancy configurations are favorable as well as some of the others including (110) (1̄1̄0) and (1̄1̄0) (101).…”

Section: Resultssupporting

confidence: 88%

“…For AgBr, we report results for two different potentials and here the (110) configuration is generally favored over the (200) configuration. This represents a clear difference from AgCl but is in accord with experiments. , We conclude that the reason for observation of the (200) vacancy near Fe(CN) 6 4- in AgCl is involved with a covalent bonding between the cyanide ligands and nearest silver ions with some dependence on the silver halide type and that this feature must be included in interatomic potentials treating this problem.…”

Section: Resultssupporting

confidence: 80%

“…We have examined various approximations in our calculation in order to determine which give reliable predictions of the favored vacancy configuration near Fe(CN) 6 4- in AgCl since there is no precidence for treating this system. Experimentally, , the (200) vacancy complex is favored over the (110) vacancy. We examined both the effects of CN - polarizability and Ag + −N bonding interactions on the predicted orientation.…”

Section: Resultsmentioning

confidence: 93%

“…Finally, we introduced the bonding type of Ag + −N interaction potential for comparison to results obtained with the Born−Mayer form of potential. Employing this procedure leads to favored dopant vacancy configurations that have low symmetry and which can be rationalized more readily with experimental assignments. , …”

Section: Methodsmentioning

confidence: 99%

“…Recent reports , have indicated the usage of the ionic−covalent dopant iron hexacyanide in photographic studies in AgCl. EPR has proven 1,2 to be a valuable experimental tool for studying this dopant−host system.…”

Section: Introductionmentioning

confidence: 99%

See 4 more Smart Citations

Computational Study of Iron Hexacyanide in Silver Halide

Baetzold

1997

J. Phys. Chem. B

View full text Add to dashboard Cite

Classical and quantum mechanical atomistic calculations are presented for the structure and energy levels of iron hexacyanide complexes in silver halide crystals. The classical calculations employ a shell-model interatomic potential for the silver halide host and a force field developed from the vibrational properties of Fe(CN)6 4- and Fe(CN)6 3-. In addition to the normal solid state treatments it was necessary to include polarizability of the CN- ligands by means of the shell model and a bonding Ag+−N interatomic potential derived quantum mechanically in order to predict single and double silver ion vacancy orientations near the hexacyanide that could be rationalized with experimental interpretations. In AgCl, single vacancies were predicted to occupy one of the six equivalent (200) positions near Fe(CN)6 4-, and near Fe(CN)6 3- the divacancy configurations (200) (2̄00); (2̄00) (020); and (1̄1̄0) (200) were predicted to be favored. The electronic properties of the dopant−vacancy complexes in silver halide were calculated with embedded Hartree−Fock and local density methods. It is shown that Fe(CN)6 4- is not a deep electron trap since its calculated electron affinity is less than that calculated for the AgCl host. Thus, this complex can only function as a shallow ionized donor center. There was a perturbation of the charge distribution calculated for the complex caused by the presence of associated cation vacancies. These complexes have an ionization potential calculated to be less than that of AgCl, which permits them to trap holes.

show abstract

Section: Resultssupporting

confidence: 88%

Section: Resultssupporting

confidence: 80%

Section: Resultsmentioning

confidence: 93%

Section: Methodsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 3 more Smart Citations

Computational Study of Iron Hexacyanide in Silver Halide

Baetzold

1997

J. Phys. Chem. B

View full text Add to dashboard Cite

show abstract

Modelling the substitution effects of several rhodium(III) transition metal complexes using the angular overlap model

Gilliams¹,

Vandenbroucke²,

Görller‐Walrand³

1998

Chemical Physics

View full text Add to dashboard Cite

Role of Citric Acid in the Formation of Silver Nanoplates through a Synergistic Reduction Approach

et al. 2009

View full text Add to dashboard Cite

This study discusses the function of citrate ions in the synthesis of silver nanoplates through a synergetic reduction approach in ambient conditions. It was found that the citrate ions can play multiple roles in the synthesis process, including a reducing agent, a stabilizer, and a complex agent, and they show some unique features under the reported conditions. The reducing ability of these citrate ions was shown to be weaker than that of sodium borohydride and/or L-ascorbic acid used in the same system. The stability in the shape/size control of silver particles is weaker than that of other surfactants tested in the present system, such as bis(2-ethylhexyl)sulfosuccinate (AOT) and thiols. Citrate ions could form a silver complex with silver ions as [Ag(2)(+)...citrate] or [Ag(3)(C(6)H(5)O(7))(n+1)](3n-), as confirmed by electrospray ionization (ESI) mass spectrometry and the kinetic analysis that the molar ratio of citric acid or sodium citrate to silver ions can greatly influence the reaction rate and, hence, the particle growth of silver nanoparticles. Such a complexing effect is further confirmed by the use of chelating ions (e.g., [Fe(CN)(6)](4-)) to form Ag(n)[Fe(CN)(6)](n-4), which can largely influence the synthesis of silver nanoparticles. These results show some formation results of generating silver nanoplates involving citrate ions, which are useful in the shape-controlled synthesis of other metallic nanoparticles with desirable functionalities.

show abstract

Photo-EPR studies of electron and hole trapping by [Fe(CN)₆]^4-complexes in silver chloride

Cited by 4 publications

References 6 publications

Computational Study of Iron Hexacyanide in Silver Halide

Computational Study of Iron Hexacyanide in Silver Halide

Modelling the substitution effects of several rhodium(III) transition metal complexes using the angular overlap model

Role of Citric Acid in the Formation of Silver Nanoplates through a Synergistic Reduction Approach

Contact Info

Product

Resources

About

Photo-EPR studies of electron and hole trapping by [Fe(CN)6]4-complexes in silver chloride

Cited by 4 publications

References 6 publications

Computational Study of Iron Hexacyanide in Silver Halide

Computational Study of Iron Hexacyanide in Silver Halide

Modelling the substitution effects of several rhodium(III) transition metal complexes using the angular overlap model

Role of Citric Acid in the Formation of Silver Nanoplates through a Synergistic Reduction Approach

Contact Info

Product

Resources

About

Photo-EPR studies of electron and hole trapping by [Fe(CN)₆]^4-complexes in silver chloride