Molecular-dynamics investigation of the simple droplet critical wetting behavior at a stripe pillar edge defect

Liu, Xiaolong; Hong, Chengyun; Ding, Yong; Liu, Xuepeng; Yao, Jianxi; Dai, Songyuan

doi:10.1088/1674-1056/28/1/014703

Cited by 4 publications

(4 citation statements)

References 28 publications

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“…The soft wrinkled structure with anisotropy and stretching reversibility is confirmed to be a good choice for the mechanical regulation of wettability. [ 73–78 ] Rhee et al applied the stress to the surface of soft materials to switch the orientation of the wrinkle, thereby changing the direction of the liquid flow. [ 79 ] Inspired by this, Kwon et al proposed a simply responsive mechanical system on patterned soft surfaces to manipulate both the anisotropy and orientation of liquid wetting.…”

Section: Introductionmentioning

confidence: 99%

Large‐Range, Reversible Directional Spreading of Droplet on a Double‐Gradient Wrinkled Surface Adjusted Under Mechanical Strain

Chai

Tian

et al. 2020

Adv Materials Inter

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Dynamical regulation to unidirectional wetting has received considerable attention in recent years due to its important role in flexible electronics, microfluidics, drug transportation, and so forth. It is of great significance to prepare a surface which allows the droplet to spread directionally on it with the length of droplet reversibly fluctuated within a broad range under external stimulation. In this paper, a double‐gradient wrinkled structure is prepared by constructing the structure‐gradient pillar arrays on a mechanics‐adjusted wrinkled surface and subsequently making chemical gradient by oxygen plasma treatment. Under the synergistic effect of the structural gradient, chemical gradient, and wrinkled structure, the droplet can undergo unidirectional spreading and realize dynamic regulation of the spreading length on the flexible structure. This will provide a propagable method for the regulation of surface wetting.

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Section: Introductionmentioning

confidence: 99%

Large‐Range, Reversible Directional Spreading of Droplet on a Double‐Gradient Wrinkled Surface Adjusted Under Mechanical Strain

Chai

Tian

et al. 2020

Adv Materials Inter

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“…As potential alternatives to silicon-based photovoltaic systems, thin-film solar cells (TFSCs) have attracted considerable attention due to the advantages of low-cost constituents, high stability, high efficiency and device flexibility. [1][2][3][4][5][6][7] Statistically, the power conversion efficiencies (PCEs) of copper indium gallium selenide (CIGS) and cadmium telluride (CdTe) have reached 23.4% and 22.1%, respectively. [8,9] Nevertheless, In and Te are relatively rare elements, and Cd is toxic.…”

Section: Introductionmentioning

confidence: 99%

Defect physics of the quasi-two-dimensional photovoltaic semiconductor GeSe

Yan¹,

Wei²,

Wang³

et al. 2022

Chinese Phys. B

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GeSe has recently emerged as a photovoltaic absorber material due to its attractive optical and electrical properties as well as earth abundancy and low toxicity. However, the efficiency of GeSe thin-film solar cells (TFSCs) is still low compared to the Shockley-Queisser limit. Point defects are believed to play important roles in the electrical and optical properties of GeSe thin films. Here, we perform first-principles calculations to study the defect characteristics of GeSe. Our results demonstrate that no matter under the Ge-rich or Se-rich condition, the Fermi level is always located near the valence band edge, leading to the p-type conductivity of undoped samples. Under Se-rich condition, the Ge vacancy (VGe) has the lowest formation energy, with a (0/2–) charge-state transition level at 0.22 eV above the valence band edge. The high density (above 1017 cm-3) and shallow level of VGe imply that it is the p-type origin of GeSe. Under Se-rich growth condition, Sei has a low formation energy in the neutral state, but it does not introduce any defect level in the band gap, suggesting that it neither contributes to electrical conductivity nor induces non-radiative recombination. In addition, Gei introduces a deep charge-state transition level, making it a possible recombination center. Therefore, we propose that the Se-rich condition should be adopted to fabricate high-efficiency GeSe solar cells.

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“…[42,43] In addition, water molecules exhibit versatile ordered structures under ambient conditions dependent on the lattice constant, which may impact the surface wetting behavior [44][45][46][47][48][49][50] and other properties. [51][52][53][54][55] So far as we know, the relationship between the lattice strain of the hydroxylated silica surface and the interfacial water structure is not fully understood.…”

Section: Introductionmentioning

confidence: 99%

Stable water droplets on composite structures formed by embedded water into fully hydroxylated β-cristobalite silica*

Gong¹,

Qi²,

Yang³

et al. 2021

Chinese Phys. B

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Using molecular dynamics simulations, we have revealed a novel wetting phenomenon with a droplet on composite structures formed by embedded water into (111) surface of β-cristobalite hydroxylated silica. This can be attributed to the formation of a composite structure composed of embedded water molecules and the surface hydroxyl (–OH) groups, which reduces the number of hydrogen bonds between the composite structure and the water droplet above the composite structure. Interestingly, a small uniform strain (±3%) applied to the crystal lattice of the hydroxylated silica surface can result in a notable change of the contact angles (>40°) on the surface. The finding provides new insights into the correlation between the molecular-scale interfacial water structures and the macroscopic wettability of the hydroxylated silica surface.

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Molecular-dynamics investigation of the simple droplet critical wetting behavior at a stripe pillar edge defect

Cited by 4 publications

References 28 publications

Large‐Range, Reversible Directional Spreading of Droplet on a Double‐Gradient Wrinkled Surface Adjusted Under Mechanical Strain

Large‐Range, Reversible Directional Spreading of Droplet on a Double‐Gradient Wrinkled Surface Adjusted Under Mechanical Strain

Defect physics of the quasi-two-dimensional photovoltaic semiconductor GeSe

Stable water droplets on composite structures formed by embedded water into fully hydroxylated β-cristobalite silica*

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