Article
Thermodynamics
Zhongjin He, Fengyi Mi, Fulong Ning
Summary: Microsecond molecular simulations were conducted to investigate the impact of surface properties on CO2 hydrate formation in slit-nanopores of graphite and hydroxylated-silica surfaces. The results showed that different surface properties affect hydrate formation primarily by altering the aqueous CO2 concentration. Hydrophobic graphite surfaces adsorbed CO2 molecules strongly, reducing the aqueous CO2 concentration, while hydrophilic silica surfaces led to high aqueous CO2 concentration due to the adsorption of CO2 nanobubbles.
Article
Chemistry, Physical
Wenfeng Hu, Cong Chen, Chuanxiao Cheng, Tingxiang Jin, Xuehong Wu, Heyong Li, Youjian Zhu, Zhiyong Jing
Summary: In this study, molecular dynamics simulations were performed to investigate the decomposition of methane hydrates in the nanopores of graphite and hydroxylated-silica surfaces. The results showed that the solid surface can enhance hydrate decomposition, with a stronger effect observed for the hydroxylated-silica surface. Additionally, the decomposition rate was found to be higher at lower temperatures on the hydroxylated-silica surface compared to the graphite surface. These findings provide a theoretical basis for the safe and efficient exploitation and transportation of hydrates in marine sediments.
JOURNAL OF MOLECULAR LIQUIDS
(2023)
Article
Chemistry, Physical
Yi-Feng Wang, Yi-Bo Wang, Xin He, Ben-Xi Zhang, Yan-Ru Yang, Xiao-Dong Wang, Duu-Jong Lee
Summary: This study investigates the retraction dynamics of low-viscosity water nanodroplets on different surfaces through molecular dynamics simulations. Two retraction regimes, inertial and capillary regimes, are defined, and the retraction velocities are found to depend on the impact velocity and surface wettability.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Chemistry, Physical
Maboud Hekmatifar, Davood Toghraie, Babak Mehmandoust, Farshid Aghadavoudi, S. Ali Eftekhari
Summary: This paper examines the thermal behavior and phase change process of Ar fluid/Ar-Cu nanofluid using molecular dynamics simulation. Results indicate that adding roughness to walls improves the thermal behavior of the structures, while adding nanoparticles to the base fluid increases potential energy and intensifies the condensation process. Adding hydrophilic structures to Pt nanosheets increases phase change rates, while adding hydrophobic structures decreases phase change rates.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Engineering, Environmental
Emil Korczeniewski, Pawel Bryk, Grzegorz S. Szymanski, Piotr Kowalczyk, Monika Zieba, Wojciech Zieba, Magdalena Lepicka, Krzysztof J. Kurzydloedki, Slawomir Boncel, Samer Al-Gharabli, Michal Swidzinski, Dariusz J. Smolinski, Katsumi Kaneko, Joanna Kujawa, Artur P. Terzyk
Summary: Thermal feathering and fluorination are used to create durable, transparent hydrophobic, superhydrophobic, and omniphobic surfaces with modern carbon nanomaterials, such as single-walled carbon nanohorns and carbon nanoonions, in polyethylene. The reactivity of single-walled carbon nanohorns is enhanced by their conversion into open sensu shaped graphene oxide. Omniphobicity is then introduced through fluorination, resulting in new superhydrophobic and hydrophobic translucent surfaces. Spectroscopy, tribological analysis, and contact angle measurements are utilized to characterize these surfaces.
CHEMICAL ENGINEERING JOURNAL
(2023)
Article
Chemistry, Physical
Shuhang Lv, Zhen Yang, Yuanyuan Duan
Summary: This study investigates the retraction kinetics of impacting nanodroplets on hydrophobic surfaces through molecular dynamics simulations. The results show that the normalized spreading radius of nanodroplets with different Weber numbers cannot collapse into a universal curve, unlike macrodroplets. The retraction rate of nanodroplets increases with Weber number and surface hydrophobicity, and a new theoretical model based on energy conservation is proposed for more accurate prediction of the retraction rate in different conditions.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Chemistry, Physical
Bo Liu, Imran Khalid, Indrajit Patra, Oleg R. Kuzichkin, R. Sivaraman, Abduladheem Turki Jalil, Rafid Sagban, Ghassan Fadhil Smaisim, Hasan Sh. Majdi, Maboud Hekmatifar
Summary: This study investigates the thermal and atomic behavior of ammonia/copper nanofluid in aluminum nanochannels with different surface coatings. The results show that hydrophilic surfaces improve the thermal behavior and reduce the phase change time of the nanofluid.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Chemistry, Physical
Rui Zhao, Meng Yu, Zhe Sun, Shou-he Pan, Yin-min Wang, Ying-jian Ma, Xin-yu Guo, Yong Xu, Xue-min Wu
Summary: The length of the hydrophilic chain in nonionic surfactants has an impact on the regulation of droplet impact behavior and wetting behavior on hydrophobic surfaces. Longer hydrophilic chains lead to better regulation of droplet impact behavior and suppression of droplet rebound, while shorter hydrophilic chains lead to better regulation of droplet wetting behavior. These findings contribute to a better understanding of the mechanism behind regulating droplet behavior and surfactant solution wetting on hydrophobic surfaces.
SURFACES AND INTERFACES
(2023)
Article
Biophysics
Xiao Wu, Chenyang Wang, Pengfei Hao, Feng He, Zhaohui Yao, Xiwen Zhang
Summary: The study investigates the adsorption properties of albumin and fibrinogen on different TiO2 surfaces by altering the surface wetting property. The findings suggest that albumin tends to adsorb on hydrophilic surfaces, while fibrinogen tends to adsorb on hydrophobic surfaces.
COLLOIDS AND SURFACES B-BIOINTERFACES
(2021)
Article
Materials Science, Multidisciplinary
Luis Humberto Robledo-Taboada, Javier Francisco Jimenez-Jarquin, Fernando Chinas-Castillo, Antonio Mendez-Blas, Santiago Camacho-Lopez, Laura Elvira Serrano-de La Rosa, Magdaleno Caballero-Caballero, Rafael Alavez-Ramirez, Martha Hilaria Bartolo-Aleman, Efren Normando Enriquez-Porras
Summary: This study investigated the effects of surface texturing on friction and wear using different current levels to anodize p-type silicon samples. The results showed that low currents generated mesoporous silicon surfaces with low friction, while high currents generated macroporous silicon surfaces with high friction. The study also revealed a direct correlation between pore size and wear volume, as well as scar diameter.
JOURNAL OF MATERIALS RESEARCH AND TECHNOLOGY-JMR&T
(2022)
Article
Chemistry, Physical
E. Nakouzi, S. Kerisit, B. A. Legg, S. Yadav, D. Li, A. G. Stack, C. J. Mundy, J. Chun, G. K. Schenter, J. J. De Yoreo
Summary: Solid-liquid interfaces play a crucial role in various phenomena such as colloidal aggregation, crystallization, catalysis, nucleation, water desalination, and biomolecular assembly. This study investigates the influence of hydrophilic and hydrophobic probes on interfacial solution structure using three-dimensional atomic force microscopy (3D AFM). The results show that hydrophilic probes exhibit good agreement with molecular dynamics simulations, while hydrophobic probes detect vertical oscillatory features without matching the underlying lattice. It is also found that the repulsive hydration force between the probe and mica depends on the nature and concentration of ions in the solution. Based on these findings, a scheme for controlling particle aggregation and attachment outcomes by tuning hydration force is proposed.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Article
Chemistry, Physical
Justin Engstler, Nicolas Giovambattista
Summary: Water-mediated interactions play important roles in aqueous solutions, affecting processes such as protein folding and nanoparticle aggregation. This study investigates the impact of temperature and pressure on different types of interactions between graphene-based surfaces. The results show that hydrophobic, hydrophilic, and hybrid interactions are all sensitive to pressure, while only hydrophobic interactions are significantly affected by temperature variations. The findings have implications for understanding protein denaturation and biomolecular interactions, as well as for the design of water models for molecular and nanoparticle systems under different thermodynamic conditions.
JOURNAL OF CHEMICAL PHYSICS
(2022)
Article
Chemistry, Multidisciplinary
Fatemeh Hamidzadeh, Kaiwu Huang, Xinyu Ye, Lei Pan
Summary: This study investigated the dynamics and stability of thin liquid films (TLFs) between free-rising air bubbles and hydrophobic quartz surfaces using a new technique called synchronized reflection interferometry microscopy (SRIM). The results showed that the stability and critical rupture thickness of TLFs were affected by the surface hydrophobicity and the concentration of n-octanol. The findings have important implications for industrial applications such as froth flotation and semiconductor technologies.
Article
Chemistry, Physical
Ruiyu Wang, Yunqian Zou, Richard C. Remsing, Naomi O. Ross, Michael L. Klein, Vincenzo Carnevale, Eric Borguet
Summary: Understanding the microscopic driving force of water wetting is challenging and important for material design. This study investigates the relations between structure, dynamics and hydrogen bonds of interfacial water on alumina surfaces using molecular dynamics simulations and experiments. The findings reveal superhydrophilicity of both surfaces, with the (0001) surface being more hydrophilic. The molecular dynamics simulations eliminate surface contamination and provide insights into the microscopic origin of the macroscopic superhydrophilicity: strong water-to-aluminol hydrogen bonds.
JOURNAL OF COLLOID AND INTERFACE SCIENCE
(2022)
Article
Chemistry, Physical
Van-Ta Do, Doo-Man Chun
Summary: Freshwater shortages pose a threat to ecosystems and human communities worldwide. Inspired by the water collection abilities of cacti and desert beetles, researchers have successfully developed a simple and low-cost method of fabricating a surface that efficiently harvests water. This was achieved by spraying a solution of isopropyl alcohol and a mixture of hydrophobic and hydrophilic silica nanoparticles onto a laminating film, followed by hot-press lamination with sandpaper. The resulting surface exhibited wettability contrast patterns and achieved a high water-harvesting efficiency.
COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS
(2023)
Article
Chemistry, Physical
Qi-Wen Chen, Ze-Qing Guo, Jian-Ping Zhou
Summary: Multifunctional continuous solid solutions NFMTO-x were successfully synthesized via a one-step hydrothermal method by controlling the ratio of Mg and Fe. The NFMTO-x materials exhibited enhanced visible light response, effective adsorption and photocatalytic degradation of organic pollutants, CO2 methanation capability, and easy recyclability due to their magnetic properties. This research provides a significant multifunctional material for water purification.
APPLIED SURFACE SCIENCE
(2024)
Review
Chemistry, Physical
George E. Stan, Maziar Montazerian, Adam Shearer, Bryan W. Stuart, Francesco Baino, John C. Mauro, Jose M. F. Ferreira
Summary: Bioactive glasses have the ability to form strong bonds with tissues and release therapeutic ions. However, their biomechanical compatibility limits their use in load-bearing applications. The use of magnetron sputtering technology to fabricate BG coatings shows promise in improving their efficacy and potential for application.
APPLIED SURFACE SCIENCE
(2024)
Article
Chemistry, Physical
Zhaoxuan Wang, Zhicheng Yan, Zhigang Qi, Yu Feng, Qi Chen, Ziqi Song, Meng Huang, Peng Jia, Ki Buem Kim, Weimin Wang
Summary: The corrosion behavior of Fe-60 and Fe-83 ribbons in 0.6 M NaCl was studied. Fe-60 exhibited a local corrosion mode and formed a stable passivation film with higher corrosion resistance, while Fe-83 showed a combination of local and global corrosion modes and had lower corrosion resistance. Controlling the precipitation of nanocrystalline phases and increasing the POx content in the passivation film significantly improved the corrosion resistance of Fe-based glassy alloys.
APPLIED SURFACE SCIENCE
(2024)
Article
Chemistry, Physical
Hao-Kai Peng, Sheng-Yen Zheng, Wei-Ning Kao, Ting-Chieh Lai, Kai-Sheun Lee, Yung- Hsien Wu
Summary: This study investigates the effects of high energy/fluence proton radiation on the performance of HfZrOx-based FeFETs memory with different Zr content. The results show that the characteristics of FeFETs are influenced by proton radiation, and the extent of the influence depends on the Zr content. FeFETs with 50% Zr content exhibit minimal changes in memory window and demonstrate good endurance and retention performance.
APPLIED SURFACE SCIENCE
(2024)
Article
Chemistry, Physical
Zongyi Yue, Guangyi Wang, Zengguang Huang, Sihua Zhong
Summary: In this study, AZO and ITO films were successfully tuned as excellent passivation layers for c-Si surfaces, achieving effective minority carrier lifetime and outstanding optical properties through the optimization of annealing temperature and interfacial silicon oxide.
APPLIED SURFACE SCIENCE
(2024)
Article
Chemistry, Physical
Martin Hruska, Jan Kejzlar, Jaroslav Otta, Premysl Fitl, Michal Novotny, Jakub Cizek, Oksana Melikhova, Matej Micusik, Peter Machata, Martin Vrnata
Summary: This paper presents a detailed study on the hydrogen sensing capabilities of highly nanoporous black gold films. The films exhibit fast response and recovery times at low temperatures. Different levels of nanoporosity were prepared and tested to investigate the sensing properties, and it was found that nanoporous black gold is suitable for hydrogen sensing. The sensitivity of the film depends on its nanoporosity.
APPLIED SURFACE SCIENCE
(2024)
Article
Chemistry, Physical
Yupu Wang, Gaofeng Teng, Chun To Yiu, Junyi Zhu
Summary: In the study of BM-SCO and HSCO thin films, it was found that H vacancies tend to prefer sites near the external surface or oxygen vacancy channels (OVCs), while H interstitials prefer sites of oxygen on a layer that contains six-fold coordinated Co. These findings not only enrich the understanding of complex surface phenomena of defect formation but also provide an explanation for the reversibility during phase transformation.
APPLIED SURFACE SCIENCE
(2024)
Article
Chemistry, Physical
Jiafeng Lu, Linping Teng, Qinxiao Zhai, Chunhua Wang, Matthieu Lancry, Ye Dai, Xianglong Zeng
Summary: In this study, we achieved full control of fiber nanograting orientation by manipulating laser polarization, and tailored space variant fiber nanogratings, which expanded the diversity in fiber nanograting engineering.
APPLIED SURFACE SCIENCE
(2024)
Article
Chemistry, Physical
Yibo Liu, Yujie Tao, Yue Liu, Qi Sun, Qinrong Lin, Kexin Kang, Qinghua Zhang, Qingjie Sun
Summary: This study investigates the wettability of the Ti-Cu-Fe multi-metal system, specifically the wetting behaviors of CuSi3 droplets on TC4 and 304SS plates. The results show that the CO2 + Ar gas atmosphere significantly affects interfacial mass transfer, thus influencing the wettability of the systems.
APPLIED SURFACE SCIENCE
(2024)
Article
Chemistry, Physical
Jimei Liu, Fei Wang, Rong Guo, Yuqi Liu, Mengyu Zhang, Jaka Sunarso, Dong Liu
Summary: This study developed Co/MXene composites with anti-corrosion properties by varying the cobalt content. These composites exhibited remarkable electromagnetic absorption performance and high resistance to corrosion under various corrosive conditions. The study also revealed the mechanism of electron transfer from cobalt to MXene and the electromagnetic dissipation behavior originated from polarization loss alone.
APPLIED SURFACE SCIENCE
(2024)
Article
Chemistry, Physical
Moujie Huang, Yongsong Ma, Jingbo Yang, Lingyun Xu, Hangqi Yang, Miao Wang, Xin Ma, Xin Xia, Junhao Yang, Deli Wang, Chuang Peng
Summary: Strong metal-support interactions (SMSIs) are important for enhancing catalytic activities and stability in thermal catalysis. This study demonstrates a method to create SMSIs in electrocatalysis using carbon nanotubes and Ru nanoparticles, resulting in excellent catalytic activity and stability.
APPLIED SURFACE SCIENCE
(2024)
Article
Chemistry, Physical
Ravi Trivedi, Brinti Mondal, Nandini Garg, Brahmananda Chakraborty
Summary: This study explores the potential of biphenylene as a nanocarrier for the delivery of the anticancer drug cisplatin. It is found that biphenylene offers physical stability, rapid release rate, solubility, and bio-compatibilities compared to other nanocarriers. The adsorption of cisplatin on the surface of biphenylene involves charge transfer from cisplatin to biphenylene. The drug is shown to be released at body temperature in an acidic environment. Biphenylene also exhibits excellent cytotoxicity activity and cellular uptake of the drug. Overall, biphenylene shows promise as a potential nanocarrier for cisplatin delivery.
APPLIED SURFACE SCIENCE
(2024)
Article
Chemistry, Physical
Hyun Jeong, Hyeong Chan Suh, Ga Hyun Cho, Rafael Salas-Montiel, Hayoung Ko, Ki Kang Kim, Mun Seok Jeong
Summary: In this study, a potential platform to enhance Raman scattering and increase the number of observable Raman modes in monolayer transition metal dichalcogenides (TMDs) was proposed. The platform consisted of large-scale arrays of gold micropillars (MPs), which were able to enhance the Raman intensity of TMDs and make difficult-to-detect Raman modes observable. The platform showed great industrial advantages and wide applicability due to its low cost, simple process, large controllable area, and short process time.
APPLIED SURFACE SCIENCE
(2024)
Article
Chemistry, Physical
Yasir Abbas, Shafqat Ali, Sajjad Ali, Waqar Azeem, Zareen Zuhra, Haoliang Wang, Mohamed Bououdina, Zhenzhong Sun
Summary: In this study, FeOx@SPNO-C core-shell nanospheres as a catalyst for degradation of sulfamethoxazole (SMX) were successfully synthesized. The synergistic interaction between FeOx and SPNO-C, high carbon charge density, and the presence of C = O groups and N/Fe-Nx sites were found to be key factors for the enhanced degradation of SMX.
APPLIED SURFACE SCIENCE
(2024)
Article
Chemistry, Physical
Qiaoting Yang, Yuxiao Gong, Yan Qian, Zhou-Qing Xiao, Serge Cosnier, Xue-Ji Zhang, Robert S. Marks, Dan Shan
Summary: This study proposes a hierarchical confinement strategy to design Prussian blue nanoparticles (PB NPs) with satisfactory electrocatalytic ability and stability. The catalytic synthesis of PB NPs is achieved through a hydrothermal process, and the as-prepared PB@NH2MIL exhibits efficient electronic transmission and enhanced electrocatalytic properties.
APPLIED SURFACE SCIENCE
(2024)