Article
Chemistry, Physical
Jose Weliton de Oliveira Araujo, Mayra Moura-Moreira, Carlos Alberto Brito da Silva Jr, Jordan Del Nero
Summary: In this study, we investigated the electronic transport properties of four different devices with different configurations. The results showed that electronic transport mainly occurred through direct tunneling without nonlinear effects such as resonance or negative differential resistance. Moreover, the presence of nitrogen atoms significantly altered the structural and electronic characteristics of the devices, leading to improved performance.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Arulraj Ramalingam, Chinnaraja Duraisamy, Hitler Louis, Rajalakshmi Ramarajan, Anna Imojara, Sivakumar Sambandam, Innocent Benjamin
Summary: This study presents the synthesis and evaluation of a potential anti-muscular dystrophy drug. Computational and experimental results demonstrate its significant biological activity, indicating its potential as an effective treatment for muscular dystrophy.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
J. S. Zuback, T. A. Palmer
Summary: By adjusting the alloying elements and nitrogen content, the formation of niobium-rich 6-phase precipitates in additively manufactured Inconel 625 during high temperature exposure can be suppressed. Hot isostatic pressing can improve niobium distribution and reduce 6-phase formation.
JOURNAL OF ALLOYS AND COMPOUNDS
(2024)
Article
Chemistry, Physical
Arpit Agrawal, Sam Bakhtiari, Reza Mirzaeifar, Daqiang Jiang, Hong Yang, Yinong Liu
Summary: This paper reports a comparative study on the amorphization of B2 structure of different equiatomic binary alloys. The study findings suggest that anti-site defects can cause severe random distortions to the B2 structures, leading to a decrease in crystalline ordering. Among the four alloys studied, NiTi and CuZr can be fully amorphous at a threshold concentration of anti-site defects, while AlFe and FeTi cannot. The ease of amorphization is higher in NiTi compared to CuZr, in terms of both the required defect concentration and temperature range.
JOURNAL OF ALLOYS AND COMPOUNDS
(2024)
Article
Chemistry, Physical
Ekta Pardhi, Devendra Singh Tomar, Rahul Khemchandani, Gananadhamu Samanthula, Pankaj Kumar Singh, Neelesh Kumar Mehra
Summary: The main aim of this study was to prepare a drug-drug coamorphous system to improve the physiochemical properties, solubility and stability of Apremilast and Indomethacin. Various solid-state characterization techniques were used to characterize the prepared system. Molecular level interactions were studied using molecular modeling and ATR-FTIR and 1H NMR. Solubility and dissolution studies showed the benefits of the coamorphous system. The system was found to be stable for a period of five months. Permeation study also demonstrated improved flux for both drugs compared to their crystalline forms. The coamorphous system showed anti-psoriatic and anti-melanogenic activity based on molecular docking results. Overall, the developed CAM-based supersaturated system exhibited improved physicochemical properties and physical stability.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Sudhansu Sekhar Hota, Debasish Panda, Ram Naresh Prasad Choudhary
Summary: The main objective of this research is to investigate the effect of adding potassium/tungsten on the characteristics of eco-friendly BiFeO3 and assess its potential applications. The results show that the addition of K/W transforms the structure of bismuth ferrite and the material exhibits high dielectric constant and low tangent loss. This indicates potential capacitive and ferroelectric properties.
JOURNAL OF ALLOYS AND COMPOUNDS
(2024)
Article
Chemistry, Physical
Fateme Yoosefan, Ali Ashrafi, Seyed Mahmoud Monir Vaghefi
Summary: The high-entropy CoCrFeMoNi alloy exhibits remarkable strength, flexibility, and corrosion resistance. This study investigates its corrosion and tribocorrosion behavior. The cold-rolled samples show enhanced corrosion resistance due to their fine-grained microstructure and elevated hardness. However, increasing annealing temperatures reduce the corrosion resistance. The tribological performance demonstrates significant tribocorrosion resistance in all high-entropy alloy samples, and the reprotective layer in the annealed samples exhibits higher resistance.
JOURNAL OF ALLOYS AND COMPOUNDS
(2024)
Article
Chemistry, Physical
Vadivel Saravanan, Pandian Lakshmanan, Chennan Ramalingan
Summary: Graphitic carbon nitride immobilized by palladium was synthesized and characterized. It exhibited excellent catalytic performance in the construction of significant pharmacophores at ambient temperature in water.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Karan Goswami, Dipak Das, Parthasarathi Bera, Sounak Roy, Md. Motin Seikh, Prasanta Kumar Sinha, Arup Gayen
Summary: This work presents the development of a simple and highly active heterogeneous Pd catalyst for Suzuki-Miyaura carbon-carbon cross-coupling reaction. The NiPdFe-1 catalyst shows the best activity and stability among the prepared catalysts. It efficiently promotes the coupling reaction between aryl bromide and phenyl boronic acid under mild reaction conditions with high isolated yields.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Na Zhang, Ning Li, Li Wang, Mengtao Sun, Jingang Wang
Summary: This article investigates the optical properties of the two-dimensional material NbOCl2, which exhibits high second-order nonlinear coefficients and weak electronic coupling between layers, making it a suitable quantum light source material. The study reveals that the total density of states, photoelectronic energy spectrum, and absorption spectrum of NbOCl2 are influenced by the size effect. Charge transfer occurs around the Nb atom of NbOCl2 and the transition dipole moment density changes periodically. The two-photon absorption spectrum is dominated by a one-step transition.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Jing Li, Zhengze Xia, Shasha Cai, Shuai Xia, Xianren Zhang
Summary: This study simulated the interaction between ultrasound and cell membranes, and found that ultrasound energy is concentrated more effectively on the hydrophobic core of the membrane. The simulations also revealed a substantial effect of the ultrasonic frequency on redistribution of dissolved gas molecules.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Yifan Liu, Fei Lu, Chang Liu, Qingyun Li, Yu Li, Yuanfeng Xu
Summary: This study explores the waveguide properties of graphene integrated with LiNbO3 and finds significant enhancements in effective index and coupling efficiency upon graphene coverage. The results demonstrate the feasibility of graphene as an electrode and lay the foundation for future research on high-speed optical modulators.
APPLIED SURFACE SCIENCE
(2024)
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)
Article
Chemistry, Physical
Wen-Bin Wu, Julia Kasiuk, Janusz Przewoznik, Czeslaw Kapusta, Ivan Svito, Dang Thanh Tran, Hung Manh Do, Hung Manh Dinh, Johan Akerman, Thi Ngoc Anh Nguyen
Summary: We studied the magnetoresistance mechanisms in a Pt/[Co/Pt]x5 film consisting of a ferromagnetic [Co/Pt]x5 layer with strong perpendicular magnetic anisotropy and a nonmagnetic Pt layer with strong spin-orbit coupling. Two competing contributions, sin2 theta and cos4 theta, were revealed in the electrical resistance of the film at different angles and magnetic fields, corresponding to the out-of-plane rotation of the magnetization M(theta) perpendicularly to the electric current. The cos4 theta contribution is attributed to the anisotropic magnetoresistance of the ferromagnetic layer, while the sin2 theta contribution is mainly associated with the spin Hall magnetoresistance originating from the Pt layer. The strong influence of the electric current on the magnetization of the film is of high relevance for magnetic memory design technologies.
APPLIED SURFACE SCIENCE
(2024)
Article
Chemistry, Physical
Wan-Ying Wang, Gui-Chang Wang
Summary: In this study, the catalytic activity and carbon deposition resistance of 14 Ni3X-type alloy catalysts were calculated using density functional theory. Ni-based catalysts with high activity and stability, such as Ni3V, Ni3Cr, Ni3Mn, Ni3Nb, and Ni3Mo, were selected and considered to have high application potential. Measurement of catalyst activity and stability through descriptors was explored, and the superiority of Ni3Mo catalytic performance was further verified.
APPLIED SURFACE SCIENCE
(2024)
Article
Chemistry, Physical
Tangchun Wang, Binbin Sun, Weijie Wang, Jinchen Dong, Jianbo Qu, Zhiliang Zhang
Summary: In this study, a novel SERS substrate was fabricated by utilizing gelatin gels and silver nanoparticles. The substrate exhibited excellent sensitivity and detection capability, being able to detect low concentrations of fungicides in lake water. It is expected to serve as a fast and simple method for highly sensitive detection of hazardous contaminants and fungicides in aquaculture fields.
APPLIED SURFACE SCIENCE
(2024)
Article
Chemistry, Physical
Yuan He, Chengwei Sun, Shidong Fang, Muhammad Shaban, Changlun Chen
Summary: A facile NTP treatment was conducted to modify NiCoLDH nanowires, introducing N-doping and oxygen vacancies for improved electrochemical performance. The optimized electrode (P-NiCoNW/CC-150) showed outstanding capacitance performance and excellent cycling stability. An asymmetric supercapacitor device assembled with the electrodes exhibited high energy density.
APPLIED SURFACE SCIENCE
(2024)
Article
Chemistry, Physical
Younghwan Lee, Se Hyun Kim, Hyun Woo Jeong, Geun Hyeong Park, Jaewook Lee, Young Yong Kim, Min Hyuk Park
Summary: This study investigates the structural, chemical, and electrical properties of Hf0.5Zr0.5O2 under different electrode conditions. The results show that Hf0.5Zr0.5O2 with a Mo electrode exhibits higher remanent polarization and a higher fraction of ferroelectric orthorhombic phase compared to Hf0.5Zr0.5O2 with a TiN electrode. Additionally, the concentration of oxygen vacancies in Hf0.5Zr0.5O2 with a Mo electrode is significantly lower, explaining its wake-up free behavior.
APPLIED SURFACE SCIENCE
(2024)
Article
Chemistry, Physical
Cheng-zhao Jin, Meng-yuan Liu, Cai-yun Wang, Xin-an Yang, Li-li Yao, Wang-bing Zhang
Summary: The difference in bandgap structure results in better charge separation performance of crystalline/amorphous heterojunctions. Adjusting the facets at the material contact interface can further improve the charge separation performance of such heterojunctions. This article successfully synthesized three novel ZnO/amorphous Bi2WO6 heterojunctions and demonstrated their efficient carrier separation characteristics and excellent photocatalytic performance through photoelectric testing.
APPLIED SURFACE SCIENCE
(2024)
Article
Chemistry, Physical
Xinlei Zhang, Fei Wu, Guicun Li, Lei Wang, Jianfeng Huang, Alan Meng, Zhenjiang Li
Summary: This study presents the fabrication of an amorphous-crystalline Ni@NiSx-CdS photocatalyst by assembling an amorphous Ni@NiSx cocatalyst onto CdS. The synergistic effects between the electronic coupling of the amorphous-crystalline interface and the variation of work function achieved improved performance of the photocatalyst in terms of photocatalytic H-2 production rate and quantum efficiency.
APPLIED CATALYSIS B-ENVIRONMENT AND ENERGY
(2024)
