Simulation study of temperature-dependent diffusion behaviors of Ag/Ag(001) at low substrate temperature

Cai, Danyun; Mo, Y. W.; Feng, Xiaofang; He, Yingyou; Jiang, Shaoji

doi:10.1016/j.apsusc.2017.02.086

Cited by 8 publications

(7 citation statements)

References 44 publications

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“…Figure b–d reveals the effects of different reaction temperatures on the morphology of 3D flower-like Ag-CF electrodes. The reaction temperature could significantly affect the surface diffusion rate of the Ag clusters and also produce Ag-CF with different morphologies on the basis of the literature. , In the primary growth, the zigzag-shaped nanoflowers were mainly formed owing to the slow nucleation process under low-temperature conditions, which were composed of fragmented nanosheets, and the low temperature also led to insufficient adhesion (Figure b(iii)). At a reaction temperature of 50 °C, these nanosheets gathered together, indicating that the directional attachment of the nanosheets could become the core of the Ag nanoflowers, as shown in Figure c(iii) obtained by high-magnification electron microscopy.…”

Section: Resultsmentioning

confidence: 99%

Controllable 3D Flower-Like Ag-CF Electrodes as Flexible Marine Electric Field Sensors with High Stability

et al. 2023

Inorg. Chem.

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Construction of three-dimensional (3D) flower-like nanostructures with controlled morphologies has emerged as an attractive tool by scientists in the marine electric field sensor research field due to their peculiar structural features. Herein, novel 3D flower-like Ag-CF capacitive composite electrodes have been created by an eco-friendly water-bath strategy via AgNO3 as a sliver source and subsequently compounded with carbon fibers (CFs) pretreated by thermal oxidation. A series of electrode samples with various morphologies obtained by modulating different reaction times and temperatures bring about the dominant formation mechanism of these nanostructures and the influence behavior on the CF electrode in detail. Especially, the 3D flower-like Ag-CF electrode shows a large surface area acquired under the conditions of 80 °C and 15 min, which can provide more electroactive sites in electrochemical analysis and exhibit a maximum areal specific capacitance of 619.75 mF·cm–2 at a scanning speed of 10 mV·s–1. This is mainly due to the synergistic behavior of the unique 3D flower-like morphology and the large specific surface area of CFs. Furthermore, a cylinder-shaped Ag-CF sensor is designed, which delivers a superior potential difference of 33.08 μV, a potential difference drift of 18.62 μV/24 h for 30 days, and a self-noise of 0.92 nV/rt (Hz)@1 Hz. In this work, the intriguing synthesis strategy can be a promising facile approach to manufacture the controllable 3D flower-like Ag-CF electrode for electric field sensor applications.

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Section: Resultsmentioning

confidence: 99%

Controllable 3D Flower-Like Ag-CF Electrodes as Flexible Marine Electric Field Sensors with High Stability

et al. 2023

Inorg. Chem.

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“…The diffusivity of vacancies can to some extent dictate the stability of the solar cells, which is well correlated with the preparation temperatures. Here, the diffusion temperature ( T ) of defects can be estimated from the calculated Δ E a in Equation (): [ 58–60 ]

\begin{array}{*{20}{c}}{\Gamma = v \times \exp \left( { - \frac{{\Delta {E_a}}}{{{K_{\rm{B}}}T}}} \right)}\end{array}

where Δ E a is the diffusion barrier, and v is attempt frequency (typically 10 13 Hz), K B is the Boltzmann constant (1.38 × 10 –23 J K −1 ), and T is temperature. The numerical value of v is 10 10 Hz.…”

Section: Resultsmentioning

confidence: 99%

“…The diffusivity of vacancies can to some extent dictate the stability of the solar cells, which is well correlated with the preparation temperatures. Here, the diffusion temperature (T) of defects can be estimated from the calculated ΔE a in Equation ( 2): [58][59][60]…”

Section: Inhibiting the Migration Of V I On Cspbi 2 Br (110) Surfacementioning

confidence: 99%

Insights Into to the KX (X = Cl, Br, I) Adsorption‐Assisted Stabilization of CsPbI₂Br Surface

Cheng

Zhou

et al. 2022

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diffusion length, and high light absorption coefficient. [7][8][9] These research efforts have witnessed the steady promotion of their power conversion efficiencies (PCEs) from 3.8% to 25.5%. [10] Nonetheless, the instability of the organic components against light, humidity, and heat remains the most pernicious problem jeopardizing their commercial applications. [11][12][13] It is therefore recommended to replace the organic components with inorganic cations, one example being α-CsPbI 2 Br, [14][15][16][17][18][19][20] which demonstrates outstanding optoelectronic properties. While the stability is being improved, the PCE (17.46%) [21] of α-phase CsPbI 2 Br is still far below the Shockley-Queisser (SQ) limit (24.75%) [22] and thus inferior to its hybrid organic-inorganic counterparts.Recently, it was observed that surface defect passivation can effectively enhance the PCE of the CsPbI 2 Br PSC. [23][24][25][26][27][28][29] Annihilation of surface I and Br vacancies via the incorporation of external anions was proposed to be the root cause of the improved performance, [30] but the underlying mechanism is still under debate. Some researchers suggested that the interactions with external anions could suppress the migration of surface ions in CsPbI 2 Br, thus alleviating the hysteresis effect, [31] while others ascribed the improvement to the reduction of parasitic nonradiative charge-carrier recombination centers formed by surface point defects. [32] One such point defect in CsPbI 2 Br is the Pb Br (Pb replacing Br) antisite. It has been shown in the literature that Pb Br is occasionally formed when a Br vacancy is generated in the lattice with an additional Pb captured at this vacant site. [33][34][35][36] This defect can induce detrimental deep-level defect states in the bandgap. [23,24,28,[37][38][39][40] Several reports have indicated that alkali metal halide can electronically passivate the Pb Br defect at the surface and prolong the durability of the solar cells. [37][38][39][40] In the passivation process, the ions are adsorbed at the surface vacant sites with sufficiently low kinetic barriers, which is similar to ion batteries, but different in that the adsorption process is irreversible while ionic intercalation in batteries is reversible. [41] Despite the abundance of experimental evidence, the atomistic understanding of the passivation mechanisms has not yet been achieved.Considering the fact that the substantive key to passivation lies in the incorporation of external anions, we conduct a Despite the excellent optoelectronic properties, organic-inorganic hybrid perovskite solar cells (PSCs) still present significant challenges in terms of ambient stability. CsPbI 2 Br, a member of all-inorganic perovskites, may respond to this challenge because of its inherent high stability against light, moisture, and heat, and therefore has gained tremendous attraction recently. However, the practical application of CsPbI 2 Br is still impeded by the notorious phenomenon of photoinduced halide segregation. Herein, by...

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“…[26] But the extremely low growth rate of the film (≈Å s −1 ) limits the long-time atomic simulations by MD. Kinetic Monte Carlo (KMC) method [26][27][28] has been widely adopted in the study of thin film growth because it retains the atomistic detail with an accessible time scale reaching several seconds. However, the off-lattice effect, viz., the dislocated atom motion, is difficult to embed in the commonly used lattice kinetic Monte Carlo (LKMC).…”

Section: Doi: 101002/crat202100214mentioning

confidence: 99%

Study of Dislocation Bending During Film Growth by a Multiscale Scheme

Nie

Liu

et al. 2022

Crystal Research and Technology

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Depositing on the patterned substrate in chemical vapor deposition is one of the most effective approaches to produce low‐dislocation‐density films. Existing experiments indicate that dislocation bending is the main cause of decreasing dislocation. However, what drives dislocation segments (DSs) to bend remains unclear, and existing numerical methods do not explain the mechanism fully. In this study, a multiscale scheme based on molecular dynamics (MD) and kinetic Monte Carlo (KMC) is proposed to unravel the multiscale mechanism of DSs bending. In this scheme, MD is employed to identify the off‐lattice structure and to calculate the diffusion activation energies. KMC is used to perform the temporal evolution of the deposition process. In a proof‐of‐concept, the growth rate and the film morphology in silane deposition are predicted in the cross‐scale comparable to the experimental measurements. With the proposed multiscale scheme, the calculated activation energies show that the repeated lateral deposition and the obliquely upward deposition of the dislocated atoms contribute to DSs bending. Moreover, the sharp decrease of dislocation density is quantitatively elucidated by the scheme. The study provides fundamental insight into dislocation bending reduction during crystal thin film growth.

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Simulation study of temperature-dependent diffusion behaviors of Ag/Ag(001) at low substrate temperature

Cited by 8 publications

References 44 publications

Controllable 3D Flower-Like Ag-CF Electrodes as Flexible Marine Electric Field Sensors with High Stability

Controllable 3D Flower-Like Ag-CF Electrodes as Flexible Marine Electric Field Sensors with High Stability

Insights Into to the KX (X = Cl, Br, I) Adsorption‐Assisted Stabilization of CsPbI₂Br Surface

Study of Dislocation Bending During Film Growth by a Multiscale Scheme

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Simulation study of temperature-dependent diffusion behaviors of Ag/Ag(001) at low substrate temperature

Cited by 8 publications

References 44 publications

Controllable 3D Flower-Like Ag-CF Electrodes as Flexible Marine Electric Field Sensors with High Stability

Controllable 3D Flower-Like Ag-CF Electrodes as Flexible Marine Electric Field Sensors with High Stability

Insights Into to the KX (X = Cl, Br, I) Adsorption‐Assisted Stabilization of CsPbI2Br Surface

Study of Dislocation Bending During Film Growth by a Multiscale Scheme

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Insights Into to the KX (X = Cl, Br, I) Adsorption‐Assisted Stabilization of CsPbI₂Br Surface