Article
Multidisciplinary Sciences
Giada Franceschi, Pavel Kocan, Andrea Conti, Sebastian Brandstetter, Jan Balajka, Igor Sokolovic, Markus Valtiner, Florian Mittendorfer, Michael Schmid, Martin Setvin, Ulrike Diebold
Summary: This study presents atomic force microscopy images to investigate the distribution of K+ ions on the cleaved mica surface under ultra-high vacuum conditions. The data reveal the presence of short-range ordering and provide insights into the distribution of subsurface Al3+ ions.
NATURE COMMUNICATIONS
(2023)
Article
Materials Science, Ceramics
Youngjae Kim, Chulwoo Nam, Sookyung Kim, Hoseok Jeon
Summary: The study evaluated the applicability of B2O3 in the TiO2 slag process by investigating its rheological properties and molten oxide structure in the FeO-TiO2-B2O3 system. The addition of B2O3 was found to enhance energy efficiency and operational conditions, while reducing the liquidus temperature and increasing viscosity. Analysis of the molten oxide structure revealed the presence of borate and titanate structures, which significantly influenced viscosity.
JOURNAL OF NON-CRYSTALLINE SOLIDS
(2021)
Article
Nanoscience & Nanotechnology
Yu-kun Wei, Le-yang Dai, Chen-xing Sheng, Hai-feng Liao, Xian-bin Hou
Summary: A core-shell-structured nano-lubricating additive was synthesized using the DBDP-assisted ball grinding technique. The particle size of nano-TiO2 was refined, resulting in increased lattice distortion rate and oil affinity enhancement. The introduction of a CTAB-compatible group onto the surface of nano-TiO2 particles produced a modified layer with superior thermal stability. The electrostatic forces played a crucial role in the organic modification of the TiO2 surface. The addition of TiO2@CTAB composite oil exhibited improved lubrication performance under boundary lubrication conditions, reducing friction and wear.
ACS APPLIED NANO MATERIALS
(2023)
Article
Chemistry, Physical
Shideng Yuan, Shasha Liu, Xueyu Wang, Heng Zhang, Shiling Yuan
Summary: In this work, a multiscale and comprehensive study was conducted to investigate the heterogeneous interaction between H2O2 and TiO2 particles. The adsorption of H2O2 and H2O on the TiO2 surface was found to be primarily determined by the weaker interaction between Ti and O atoms. The adsorption energy was dominated by electrostatic effect, and the adsorption energy of TiO2-H2O complexes was lower than that of TiO2-H2O2 ones. H2O2 and H2O interacted with TiO2 particles through molecular adsorption and dissociation, resulting in surface modification and Ti-OH formation. The uptake of H2O2 on TiO2 surface was suppressed with increasing humidity, possibly due to competition for surface sites with H2O.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Thermodynamics
Pu Bai, Leping Zhou, Xiaonuo Huang, Xiaoze Du
Summary: This study investigates how surface wettability affects boiling heat transfer through a three-dimensional analysis of surface potential energy, revealing that increasing surface wettability can enhance heat transfer efficiency. The research systematically analyzes the effects of surface potential energy on various parameters and demonstrates that improving surface wettability can improve heat transfer coefficient and critical heat flux under high superheat conditions.
INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER
(2021)
Article
Chemistry, Physical
Haidong Ji, Bo Li, Tengfei Yao, Zhijun Liu, Jihong Han, Andi Li
Summary: This study employed molecular dynamics to investigate how the addition of polyurethane and nano-TiO2 modifiers affects the strengthening mechanism and anti-aging properties of asphalt binders. The results showed that polyurethane and nano-TiO2 can mitigate the aging-induced aggregation of polar molecules in asphalt and preserve its performance.
COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS
(2023)
Article
Chemistry, Physical
William J. DeBenedetti, Melissa A. Hines
Summary: Fluorination can enhance the photoreactivity of TiO2 nanocrystals and the fluorinated surface exhibits excellent contamination resistance. The rough morphology and isotropic etching of the fluorinated surface indicate the surface instability caused by fluorine and the unique reaction dynamics of XeF2.
JOURNAL OF PHYSICAL CHEMISTRY C
(2022)
Article
Chemistry, Physical
Kazimierz Skrobas, Kamila Stefanska-Skrobas, Svitlana Stelmakh, Stanislaw Gierlotka, Bogdan Palosz
Summary: The study revealed that the surface free energy of diamond nanocrystals is influenced by particle size, and using the NAC method can avoid ambiguities in surface area calculations. Both Tersoff and AIREBO potentials show significant changes in surface free energy with decreasing crystal size, but in opposite directions.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2021)
Article
Materials Science, Multidisciplinary
Yuhua Huang, Xia Ye, Xiaohong Yang, Mingxin Kuang, Kaijie Xu
Summary: Wettability is a key factor that affects the performance of metal surfaces. This study used molecular dynamics simulation to investigate the wetting behavior of liquid droplets on metal surfaces with different surface energies and morphologies. The results show a negative correlation between the solid-liquid interaction factor and the contact angle, and different surface morphologies have a significant impact on wettability.
COMPUTATIONAL MATERIALS SCIENCE
(2024)
Article
Chemistry, Physical
Heebo Ha, Seongchan Ko, Byeonghwa Goh, Sebastian Muller, Roelf-Peter Baumann, Mirine Leem, Seung Jo Yoo, Joonmyung Choi, Byungil Hwang
Summary: This study investigates the relationship between grain boundary density and surface energy of nanocrystalline Au thin films. The results show that the surface energy is inversely proportional to the grain boundary density.
APPLIED SURFACE SCIENCE
(2022)
Article
Chemistry, Physical
Pengyu Wang, Liang He, Zhenqing Wang
Summary: The study demonstrates that the wettability of water droplets on surfaces with different texture structures depends on the texture structure, and the high consistency between molecular dynamics simulation and the Cassie-Baxter equation in predicting contact angles.
COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS
(2021)
Article
Biochemistry & Molecular Biology
Almerinda Agrelli, Niedja Fittipaldi Vasconcelos, Rayane Cristine Santos da Silva, Carina Lucena Mendes-Marques, Isabel Renata de Souza Arruda, Priscilla Stela Santana de Oliveira, Luzia Rejane Lisboa Santos, Audrey Nunes de Andrade, Ronald Rodrigues de Moura, Lucas Coelho Bernardo-Menezes, Natalia Pereira da Silva, Giovanna Machado
Summary: The study focused on using in silico methods to identify peptides with potential for improving osseointegration of TiO2 implants, by docking analysis and MD simulations. 82 promising peptides were discovered, and three showed the highest binding stability during the simulations, offering a more efficient and time-saving approach for in vitro studies.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2022)
Article
Biochemistry & Molecular Biology
Nadeem Abad, Youness El Bakri, Chin-Hung Lai, Subramani Karthikeyan, Youssef Ramli, Souad Ferfra, Joel T. Mague, El Mokhtar Essassi
Summary: Two new compounds, II and III, were synthesized from compound I. The structures of the compounds were characterized using NMR, Fourier transform infrared, and single crystal X-ray diffraction studies. The crystal structures revealed the planarity of the quinoxaline portion in II and the distorted structure of the dihydroquinoxaline moiety in III. The compounds were also subjected to molecular docking and dynamics studies with JNK1.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2022)
Article
Chemistry, Multidisciplinary
Paulo Siani, Cristiana Di Valentin
Summary: This article investigates the interaction between dopamine-functionalized TiO2 nanoparticles and PARP1 and HSP90 proteins through molecular dynamics simulations. The results suggest that intracellular pH conditions and ionic strength affect the interaction between the nanoparticles and PARP1 and HSP90.
Article
Materials Science, Ceramics
Shuyao Yang, Hebin Jin, Zhuo Chen, Xubin Zhang, Shengping He, Qiangqiang Wang
Summary: It is found that the BaO-CaO-Al2O3-TiO2-Li2O slag system, which has low reactivity, can be used for the continuous casting of high-titanium steel. MD simulations show that Al2O3 exhibits amphoteric behavior when TiO2 content is less than 3 wt%, while TiO2 exhibits amphoteric behavior when TiO2 content is more than 3 wt%. The NBO/T ratio increases continuously in the low TiO2 system ranging from 1 to 6 wt%, but first increases and then decreases in the high TiO2 system ranging from 7 to 12 wt%.
JOURNAL OF NON-CRYSTALLINE SOLIDS
(2023)
Review
Biotechnology & Applied Microbiology
Zhen Tong, Xiangqian Jiang, Xichun Luo, Qingshun Bai, Zongwei Xu, Liam Blunt, Yingchun Liang
CURRENT NANOSCIENCE
(2016)
Article
Materials Science, Multidisciplinary
Jinxuan Bai, Qingshun Bai, Zhen Tong, Chao Hu, Xin He
JOURNAL OF MATERIALS RESEARCH
(2016)
Article
Materials Science, Multidisciplinary
Bai Qingshun, He Xin, Zhang Xiangqian, Shen Rongqi, Liang Yingchun
JOURNAL OF WUHAN UNIVERSITY OF TECHNOLOGY-MATERIALS SCIENCE EDITION
(2016)
Article
Optics
Fuzhong Sun, Peng Zhang, Qingshun Bai, Lihua Lu, Yong Xiang
OPTICS AND LASER TECHNOLOGY
(2016)
Article
Nanoscience & Nanotechnology
Qingshun Bai, Xin He, Jinxuan Bai, Zhen Tong
Article
Automation & Control Systems
Jinxuan Bai, Qingshun Bai, Chao Hu, Xin He, Xudong Pei
INTERNATIONAL JOURNAL OF ADVANCED MANUFACTURING TECHNOLOGY
(2018)
Article
Nanoscience & Nanotechnology
Zhiguo Wang, Jiaxuan Chen, Guilian Wang, Qingshun Bai, Yingchun Liang
NANOSCALE RESEARCH LETTERS
(2017)
Article
Chemistry, Analytical
Jinxuan Bai, Qingshun Bai, Zhen Tong
Article
Nanoscience & Nanotechnology
Zhiguo Wang, Jiaxuan Chen, Guilian Wang, Qingshun Bai, Yingchun Liang
NANOSCALE RESEARCH LETTERS
(2017)
Article
Chemistry, Multidisciplinary
Qingshun Bai, Mohamed Shehata, Ayman Nada, Zhongxi Shao
Summary: The article proposes a dynamic design procedure for a novel aperture grating tiling device using the multibody system approach. The movement of the grating device is utilized in various industrial applications, such as compression of laser pulse and optical communication. The dynamic loads are estimated based on Lagrange multipliers obtained from the MBS model, and the stress behavior of the device is examined using MATLAB tools.
APPLIED SCIENCES-BASEL
(2021)
Article
Engineering, Manufacturing
Hongfei Wang, Qingshun Bai, Shandeng Chen, Yuhao Dou, Wanmin Guo, Tingting Wang
Summary: Diamond tools are prone to wear when machining challenging materials, impacting quality and increasing costs. Traditional cutting fluids have limited effectiveness in reducing wear. This paper introduces a technique that combines graphene nanofluid and minimum-quantity lubrication (MQL) to suppress tool wear. Experimental and simulation results demonstrate that graphene nanofluid MQL effectively reduces tool wear and improves cutting performance.
JOURNAL OF MANUFACTURING AND MATERIALS PROCESSING
(2023)
Article
Engineering, Electrical & Electronic
Peng Wang, Qingshun Bai, Kai Cheng, Liang Zhao, Hui Ding
Summary: This paper investigates the influence of tool runout error and dynamic deformation on micro-milling forces, and proposes corresponding models of instantaneous undeformed chip thickness. Experimental results show that the modeling of micro-milling forces considering the effects of machining dynamics has better prediction accuracy.
Article
Chemistry, Physical
Jinxuan Bai, Qingshun Bai, Zhen Tong
Proceedings Paper
Engineering, Electrical & Electronic
Q. S. Bai, X. He, K. Zhang, W. Yang, F. H. Zhang, X. D. Yuan
PACIFIC RIM LASER DAMAGE 2017-OPTICAL MATERIALS FOR HIGH-POWER LASERS
(2017)
Article
Physics, Multidisciplinary
He Xin, Bai Qing-Shun, Bai Jin-Xuan
ACTA PHYSICA SINICA
(2016)
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)
