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JOURNAL OF COLLOID AND INTERFACE SCIENCE · 2021 · IF 8.128

Fluorination to enhance superlubricity performance between self-assembled monolayer and graphite in water

Jianfeng Li,Wei Cao,Jinjin Li,Ming Ma

Hypothesis Achievement of superlubricity is an effective method to reduce friction and wear, which has a prominent influence on the operational efficiency and lifetime of a device. However, some burning issues still remain to be solved for the practical applications of superlubricity, such as the poor load-bearing capacity, especially in liquid superlubricity. Therefore, exploring an effective method to enhance the superlubricity performance is essential to accelerate the application of superlubricity. Experiments The friction properties between two different self-assembled monolayers (SAMs)—a perfluorocarbon SAM and a hydrocarbon SAM—and graphite in water were explored and compared by atomic force microscopy (AFM). Findings Enhanced superlubricity performance due to the fluorination was observed. Specifically, we observed an approximately 85% reduction of the friction coefficient after fluorination, and superlubricity was achieved with extremely low friction coefficient of 0.0003. Moreover, 2.4-fold greater load-bearing capacity of the superlubricity was obtained after fluorination. The molecular origin of the superlubricity enhancement by fluorination was revealed by molecular dynamics (MD) simulations, indicating that the greater load-bearing capacity of the perfluorocarbon SAM was ascribed to the enhanced interaction between the water and SAM by fluorination to form a more robust layered water structure confined in the contact zone, which played a pivotal role in the superlubricity.

研究领域: 材料科学 · 表面科学
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CORROSION SCIENCE · 2016 · IF 5.154

In situ click-assembling monolayers on copper surface with enhanced corrosion resistance

Yinzhe Yu,Yizhen Wang,Jin Li,Daquan Zhang,Lixin Gao

The self-assembled monolayer (SAMs) of 2-(1-tosyl-1H-1,2,3-triazol-4- yl ) propan-2-ol (TTP) was in-situ assembled on copper surface via click chemistry reaction between 2, 2-dimethylethynyl carbinol (MBY) and tosyl azide (TA). The electrochemical results indicate that the click-assembled TTP film can strongly suppress the corrosion reaction of copper in 3   wt.% NaCl and its protection efficiency is 93.6%. Polarization curves show that TTP SAMs is an anodic passivation type inhibitor. The adsorption of TTP molecules on Cu 2 O (0 0 1) surface is in the flat orientation of the nearby triazole ring and O atoms.

研究领域: 材料科学 · 电化学
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Journal of Water Process Engineering · 2025 · IF 6.7

The impact of Span80 single molecule and micelle forms on the structure and performance of polyamide nanofiltration membranes

Yue Miao,Xiaowen Huo,Yingying Zhao,Xiuling Liu,Haitao Wang,Jun Li,Na Chang

The utilization of surfactants in the fabrication of thin-film composite (TFC) membranes has proven to be an effective way for the regulation of interfacial polymerization (IP) process in order to obtain ideal polyamide (PA) layers. However, the uncontrollable migration of surfactants and the variety in the aggregated state of surfactants result in difficulty in regulation of the morphology of PA layer. Here, nonionic surfactant Span80 is introduced in organic-phase before IP process, and the impact of the transformation of Span80 from single molecules to micelles, as well as the morphology the PA layers is systematically investigated. The function of Span80 in IP process and its impact on improving the uniformity, compactness, and separation performance of the PA layer are demonstrated by molecular simulations. As has been proved that Span80 single molecules or micelles tend to form a surfactant layer composed by Span80 single molecules at the water-organic interface due to the lower interaction energy during their migration from the organic phase to the interface. The formation of this monolayer significantly reduces the water-organic interfacial tension, which promotes the diffusion of piperazine monomer, and accelerates the IP process. As a result, with the increasing Span80 concentration, the morphology of PA layer transforms from granular structure to denser micro-spherical structure. The more uniform PA layer helps to improve the performance of this nanofiltration membrane, with the Li + /Mg 2+ separation ratio increasing from 2.41 to 14.72, representing an approximately 6-fold enhancement in separation efficiency.

研究领域: 材料科学 · 化学工程
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LANGMUIR · 2018 · IF 3.789

Self-Retraction of Surfactant Droplets on a Superhydrophilic Surface

Tianyang Gao,Jinjin Li,Yuhong Liu,Jianbin Luo

In the present work, an interesting droplet self-retraction phenomenon of myristyltrimethylammonium bromide (C14TAB) solution on the superhydrophilic mica surface was observed. The self-retraction could only occur within a concentration range from 0.01 to 16 cmc. The maximum variation of the contact angle (from 24.99 to 76.85°) was observed in droplets with a concentration of 0.1 cmc. The self-retraction mechanism was studied based on high-speed photography, surface analyses, surface energy calculation, and model fitting. It was proved that there was a monolayer of C14TAB molecules adsorbed on the mica surface, which formed through the electrostatic interaction between the negative mica and the positively charged headgroups. The formation of this monolayer took only a short time of <67 ms since the droplet touched the surface, and the monolayer was well-distributed and hydrophobic with a surface free energy of 76.041 mJ/m2 (20% of mica’s surface free energy). The reduction of surface tension led to an imbalance at the borderline of the droplet, causing self-retraction. A model was established to simulate the self-retraction process and it agreed with the experimental data well. This study has significant implication in understanding the surface modification caused by surfactant molecules.

CAS / MDL: 1119-97-7 151-21-3
研究领域: 材料科学 · 界面化学 · 物理化学
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ADVANCED FUNCTIONAL MATERIALS · 2024 ·Vol. 34 ·期 37 ·2402276 · IF 18.5

Simultaneous Reduction of Bulk and Contact Thermal Resistance in High-Loading Thermal Interface Materials Using Self-Assembled Monolayers

Xiu He,Xirui Liu,Jiajing Huang,Wenbo Lin,Jiawang Wen,Pochung Huang,Xiaoliang Zeng,Yan Zhang,Qianlong Wang,Yue Lin

Thermal interface materials (TIMs) play a pivotal role in the transfer of heat from high-temperature sources, such as CPUs, to heat sinks in power electronics. The effectiveness of grease-type TIMs is determined by their effective thermal impedance ( R EFF ), which hinges on optimizing both the specific bulk ( R B ) and contact ( R C ) thermal resistances. Achieving concurrent optimization of these resistances poses a significant challenge, especially in high filler loading TIMs, typically above 76 vol%. This research leverages interface engineering through Self-Assembled Monolayers (SAMs) to address this challenge. A substantial decrease in R EFF is realized to 0.169 K cm 2 W −1 , a tenfold enhancement compared to non-SAM treated TIMs, which exhibit R EFF values of 2.265 K cm 2 W −1 . This leap in performance is primarily ascribed to the reduced surface energy of SAM treated Al 2 O 3 , leading to lower particle-to-particle Van der Waals forces, thereby improving particle dispersion and strengthening interfacial bonds. Furthermore, longer carbon chains in SAMs result in increased R B , yet a decrease in R C , due to the chains' capacity for enhanced energy absorption and molecular entanglement. The investigation underscores the significance of shorter-chain SAMs in fine-tuning thermal resistance, highlighting the crucial role of molecular architecture in the design of advanced TIMs.

CAS / MDL: 63148-62-9
研究领域: 材料科学 · 热管理工程
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CORROSION SCIENCE · 2017 · IF 5.245

Influence of biomacromolecule DNA corrosion inhibitor on carbon steel

Ke Hu,Jia Zhuang,Jiating Ding,Zhu Ma,Fang Wang,Xianguang Zeng

The biological macromolecule DNA was used as green corrosion inhibitor to protect X80 carbon steel against 1   M HCl solution, and the corrosion behavior was systematically investigated by weight loss, electrochemical measurements, FTIR, and quantum chemistry calculation et al. The results showed that the maximum inhibition efficiency of compound DNA reached 91.9%. It was found that the chemisorption of DNA inhibitor on carbon steel surface resulted from single-molecular-layer self-assembly. The theoretical calculation verified the relationship between the DNA molecular structure and the corrosion inhibition efficiency. The results further demonstrated that the DNA was a promising environment-friend inhibitor with effective inhibition efficiency.

CAS / MDL: 100403-24-5
研究领域: 材料科学 · 电化学 · 生物化学
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INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES · 2014 ·Vol. 15 ·期 4 ·6412-6422 · IF 2.339

Comparative Study of Electroless Copper Film on Different Self-Assembled Monolayers Modified ABS Substrate

Jiushuai Xu,Ruibin Fan,Jiaolong Wang,Mengke Jia,Xuanrui Xiong,Fang Wang

Copper films were grown on (3-Mercaptopropyl)trimethoxysilane (MPTMS), (3-Aminopropyl)triethoxysilane (APTES) and 6-(3-(triethoxysilyl)propylamino)-1,3,5- triazine-2,4-dithiol monosodium (TES) self-assembled monolayers (SAMs) modified acrylonitrile-butadiene-styrene (ABS) substrate via electroless copper plating. The copper films were examined using scanning electron microscopy (SEM) and X-ray diffraction (XRD). Their individual deposition rate and contact angle were also investigated to compare the properties of SAMs and electroless copper films. The results indicated that the formation of copper nuclei on the TES-SAMs modified ABS substrate was faster than those on the MPTMS-SAMs and APTES-SAMs modified ABS substrate. SEM images revealed that the copper film on TES-SAM modified ABS substrate was smooth and uniform, and the density of copper nuclei was much higher. Compared with that of TES-SAMs modified resin, the coverage of copper nuclei on MPTMS and APTES modified ABS substrate was very limited and the copper particle size was too big. The adhesion property test demonstrated that all the SAMs enhanced the interfacial interaction between copper plating and ABS substrate. XRD analysis showed that the copper film deposited on SAM-modified ABS substrate had a structure with Cu(111) preferred orientation, and the copper film deposited on TES-SAMs modified ABS substrate is better than that deposited on MPTMS-SAMs or APTES-SAMs modified ABS resins in electromigrtion resistance.Keywords:ABS resin;SAMs;electroless copper film;heterocyclic silane

研究领域: 材料科学 · 化学工程
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NATURE · 2025 · IF 48.5

Toughened self-assembled monolayers for durable perovskite solar cells

Jiang Wenlin,Qu Geping,Huang Xiaofeng,Chen Xia,Chi Linyuan,Wang Tonghui,Wong Chun-To,Lin Francis R.,Yang Chunlei,Jiang Qing,Wu Shengfan,Zhang Jie,Jen Alex K.-Y.

Hole-selective self-assembled monolayers (SAMs) 1 , 2 have played a key role in driving the certified power conversion efficiency (PCE) of inverted perovskite solar cells 3 , 4 , 5 to 26.7% (ref. 6 ). However, their instability often compromises the operational performance of devices, strongly hindering their practical applications 7 , 8 . Here we employ a cross-linkable co-SAM to enhance the conformational stability of hole-selective SAMs against external stresses, while suppressing the formation of defects and voids in SAM during self-assembly. The azide-containing SAM can be thermally activated to form a cross-linked and densely assembled co-SAM with a thermally stable conformation and preferred orientation. This effectively minimizes substrate surface exposure caused by wiggling of loose SAMs under thermal stress, preventing perovskite decomposition. This enables a certified PCE of 26.92% to be achieved for the best-performing cell, which also possesses excellent thermal stability with negligible decay under maximum-power-point tracking at 85 °C for 1,000 h. It also retains >98% of initial PCE after 700 repetitive thermal cycles between −40 °C and 85 °C, representing the state of the art of the field. This work offers an in-depth understanding of SAM degradation mechanisms to guide the design of a more robust buried interface for SAM-based devices adopting high-roughness substrates to realize highly efficient and durable perovskite solar cells.

CAS / MDL: 4733-39-5 7789-17-5
研究领域: 光伏技术 · 材料科学 · 纳米技术 · 能源材料 · 半导体器件
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ADVANCED MATERIALS · 2025 ·Vol. 37 ·期 26 ·2501117 · IF 26.8

Decoding the Role of Molecular Orientation in Conjugated Self-Assembled Monolayers for High-Performance Binary Organic Photovoltaics Approaching 20% Efficiency

Yibo Kong,Wanhai Wang,Xiangwei Guo,Yuhui Yang,Tianyi Chen,Xiangjun Zheng,Wenxuan Yu,Yiming Wang,Mengting Wang,Yibo Hu,Chenran Xu,Yongjun Wu,Dawei Wang,Zijian Hong,Weihua Tang,Hongzheng Chen,Lijian Zuo

Molecular orientation stands as the quintessential hallmark of conjugated self-assembled monolayers (SAMs), which have recently catalyzed noteworthy advancements in organic photovoltaics (OPVs). Nevertheless, an unambiguous understanding of these directional arrangements and their impact on optoelectronic properties remains elusive. To address this issue, herein three SAMs with representative orientations, i.e., edge-on (BCZ-1), tilt-on (4PACz) and face-on (BCZ-2) are meticulously designed. These orientations have been rigorously validated by sum frequency generation vibrational spectroscopy and first-principles calculations. Remarkably, an unequivocal correlation between the molecular orientation and the device performance is discerned. Particularly, the edge-on oriented BCZ-1 exhibits the largest dipole moment normal to the electrode, accompanied by a dense and uniform coverage. These features collectively contribute to its strongest work function increment for ultra-fast hole extraction and minimum interfacial carrier recombination. As a result, a champion power conversion efficiency of 19.93% is achieved in devices based on BCZ-1 with D18:L8-BO as the active layer, representing one of the highest values reported for binary bulk heterojunction OPVs. Besides, BCZ-1 shows great potential for practical applications due to its superior up-scalability and enhanced device shelf-stability. Overall, this work offers in-depth insights into the orientation behaviors of SAMs, opening new avenues to unlock the efficiency potential of OPVs.

CAS / MDL: 34215-57-1
研究领域: 材料科学 · 有机电子学 · 光伏技术 · 表面化学 · 纳米技术
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LANGMUIR · 2022 · IF 4.331

Modulated Structure and Rectification Properties of a Molecular Junction by a Mixed Self-Assembled Monolayer

Hira Khalid,Esther Martine Opodi,Xianneng Song,Ziyan Wang,Baili Li,Lixian Tian,Xi Yu,Wenping Hu

The organization of the self-assembled monolayer (SAM) determines its electronic structure and so governs the charge transport process and device performance when adopted into a molecular device. We report a systematic study on the supramolecular structure and rectification performance of the ferrocene (11-ferrocenyl-1-undecanethiol, FUT) based SAM modulated by mixed SAM with inert 1-undecanethiol (C11SH) as diluent. We compared mixed SAMs by two different post assembly strategies, i.e., post assembly of C11SH on FUT SAM and post assembly of FUT on C11SH SAM. The organization and structure of FUT in the mixed SAM were extensively studied by cyclic voltammetry (CV) using the Laviron model. Rectification properties of the mixed SAM obtained using eutectic indium gallium (EGaIn) as the top electrode revealed that the magnitude and stability of the rectification ratio (RR) strongly correlated to not only the amount but also the phase structure and orientation of the FUT in the monolayer, resulting in a tunable RR and increased stability. The mixed monolayer achieved an increased performance relative to pure FUT by post assembling FUT on C11SH SAM, which formed an optimally dense and well-packed monolayer with the FUT head resting on the top of the alkane SAM.

CAS / MDL: 64-17-5
研究领域: 材料科学 · 电子工程 · 化学
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ELECTROCHIMICA ACTA · 2024 · IF 5.5

Self-assembled monolayer regulates lithium nucleation and growth for stable lithium metal anodes

Shuchen Huang,Chunfeng Meng,Haopeng Chen,Zichuang Jiao,Jian Qiu,Hao Zhu,Fengjian Shi,Aihua Yuan,Hu Zhou

As the “holy grail” anode material for next-generation lithium batteries, the application of lithium metal has been long hindered due to the uncontrolled dendrites. Organic polymer coatings have shown advantages in regulating the ion diffusion and reducing the surface energy of the substrate, with which large lithium nucleis and better cycle stability can be obtained, whereas the electronic insulation property of the thick polymer is adverse for lithium deposition. Hence, self-assembled monolayers (SAMs) are anchored onto the surface of planar copper via a spontaneous thiol-to-copper reaction to obtain the modified current collectors with lower surface energy. The electron/ion transfer and lithiophilicity of the planar copper are adjusted by changing the length of the alkyl length and the ending groups. Therefore, lithium nucleation and growth behaviors are regulated, and large dough-like nucleis are generated on the planar copper grafted with 3-mercaptopropionic acid (Cu-MPA), displaying a nucleation overpotential of 17.6 mV and a reversible Coulombic efficiency of 98.4 % over 250 cycles (0.5 mA cm −2 , 1 mAh cm −2 ). This strategy provides a new avenue to achieve a stable Cu/Li interface and lithium metal anodes since the very beginning of the lithium nucleation.

CAS / MDL: 107-96-0 107-03-9
研究领域: 材料科学 · 电化学
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JOURNAL OF COLLOID AND INTERFACE SCIENCE · 2024 · IF 9.4

Improving interfacial thermal transport in silicon-reinforced epoxy resin composites with self-assembled monolayers

Fangyuan Sun,Qingjun Wu,Yongsheng Fu,Libing Zheng,Kun Zheng,Ming Yang,Yanhui Feng

Epoxy resin (EP) based composite materials, due to their advantages such as light weight, ease of processing, and mechanical properties, have been widely applied across thermal packaging field. However, the overall thermal conductivity is constrained by the interfacial thermal resistance between the filler and the substrate. Existing studies suggest that self-assembled monolayers (SAM) can enhance the interfacial thermal conductance (ITC) by forming covalent bonds. Nevertheless, limited research has focused on using SAM to form bilateral covalent bonds to regulate ITC. Therefore, SAM capable of forming bilateral covalent bonds at the EP/silicon (Si) interface were employed to enhance ITC. In this study, time-domain thermoreflectance (TDTR) experiments and molecular dynamics (MD) simulations were conducted to investigate the EP/SAM/Si system. The results demonstrate that SAM-NH 2 modification, which forms bilateral covalent bonds at the EP/Si interface, increased the interfacial adhesion strength and enhanced ITC to 140%, thereby significantly promoting interfacial heat transfer. Conversely, ITC was reduced with SAM-CH 3 due to the formation of single covalent bond. Subsequently, the differential effective medium (DEM) model was used to determine that the thermal conductivity of the composite modified with SAM-NH 2 was improved by 11%. This study provides new insights into adjusting ITC using SAM.

CAS / MDL: 919-30-2
研究领域: 材料科学 · 热传导研究
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