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Quantum Tunneling: History and Mystery of Large Amplitude Motions over a Century J. Phys. Chem. Lett. (IF 4.8) Pub Date : 2024-12-20 Ha Vinh Lam Nguyen
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Stabilizing Diketopyrrolopyrrole Radical Cations Through Carbazoles: Substitution Pattern vs Spin Delocalization J. Phys. Chem. Lett. (IF 4.8) Pub Date : 2024-12-20 Sanchari Debnath, Jungjin Park, Vithobha Hugar, Ram Kumar Canjeevaram Balasubramanyam, Juwon Oh, Woojae Kim, Satish Patil
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Machine Learning Prediction of the Corrosion Rate of Zinc-Based Alloys Containing Copper, Lithium, Magnesium, and Silver J. Phys. Chem. Lett. (IF 4.8) Pub Date : 2024-12-20 Artur Davletshin, Elena A. Korznikova, Andrey A. Kistanov
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Light Harvesting Complex II Resists Non-bilayer Lipid-Induced Polymorphism in Plant Thylakoid Membranes via Lipid Redistribution J. Phys. Chem. Lett. (IF 4.8) Pub Date : 2024-12-19 Avinash Garg, Ananya Debnath
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Correction to “Spectral Map: Embedding Slow Kinetics in Collective Variables” J. Phys. Chem. Lett. (IF 4.8) Pub Date : 2024-12-19 Jakub Rydzewski
In the original published article, the kernel density estimate below eq 3 was published as ϱ(xk) = ∑lκ(zk, zl). This equation should read instead ϱ(zk) = ∑lg(zk, zl). The typographical error does not change the results published in the article. This article has not yet been cited by other publications.
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Ultrastable Pt/Zn-Doped-Al2O3 Catalyst for Propane Dehydrogenation J. Phys. Chem. C (IF 3.3) Pub Date : 2024-12-20 Yanan Xing, Bonan Li, Leilei Kang, Yang Su, Xiaoli Pan, Lin Li, Hua Liu, Xiao Yan Liu, Aiqin Wang, Tao Zhang
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Anisotropic Interlayer Force Field for Heterogeneous Interfaces of Graphene and h-BN with Transition Metal Dichalcogenides J. Phys. Chem. C (IF 3.3) Pub Date : 2024-12-20 Wenwu Jiang, Reut Sofer, Xiang Gao, Leeor Kronik, Oded Hod, Michael Urbakh, Wengen Ouyang
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Understanding the Origin of the Redox Potential Shift of Transition Metal in LiFexMn1–xPO4 Cathodes by the Molecular Orbital Theory J. Phys. Chem. C (IF 3.3) Pub Date : 2024-12-20 Zhenming Xu, Yuqiao Jiang, Xiangmin Feng, Ke Wang, Yue Zhou, Mingbo Zheng, Yixi Lin, Yinghui Xia, Zhenhui Liu, Laifa Shen, Yongyao Xia
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Magnesium Ferrite Promoting the Purity of Grown Boron Nitride Nanotubes J. Phys. Chem. C (IF 3.3) Pub Date : 2024-12-20 Xin Chen, Liyun Wu, Kai Zhang, Qian He, Ying Wang, Haoting Niu, WenTao Zheng, Yagang Yao
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Theoretical Study of Controllable Radioactive Xe/Kr Separation on C3N Modulated by Electric Fields J. Phys. Chem. C (IF 3.3) Pub Date : 2024-12-19 Xiang Li, Mingzhu Jin, Wenxi Zhang, Mengnan Qu, Aijun Du, Jianfen Fan, Qiao Sun
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Absence of Anomalous Electron–Phonon Coupling in the Near-Ambient Gap Temperature Renormalization of CsPbBr3 Nanocrystals J. Phys. Chem. C (IF 3.3) Pub Date : 2024-12-19 Shima Fasahat, Benedikt Schäfer, Kai Xu, Nadesh Fiuza-Maneiro, Sergio Gómez-Graña, M. Isabel Alonso, Lakshminarayana Polavarapu, Alejandro R. Goñi
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Influence of Deposition Temperature on Cu-BDC Surface-Anchored Metal–Organic Framework Formation J. Phys. Chem. C (IF 3.3) Pub Date : 2024-12-19 Skylar J. Delozier, Dayton L. Maglich, Katherine E. Coffin, Katherine S. Euston, Catherine M. Mauck, Mary E. Anderson
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Impact of Anions and Water Content on [Li–Al] Layered Double-Hydroxide Stability J. Phys. Chem. C (IF 3.3) Pub Date : 2024-12-19 Christopher Hoban, Natalie Parkinson, K. Jayanthi, M. Parans Paranthaman, Alexandra Navrotsky, Brian F. Woodfield
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Defect-Mediated Crystallization of the Particulate TiO2 Photocatalyst Grown by Atomic Layer Deposition J. Phys. Chem. C (IF 3.3) Pub Date : 2024-12-19 Bela D. Bhuskute, Harri Ali-Löytty, Jesse Saari, Arto Hiltunen, Tero-Petri Ruoko, Turkka Salminen, Mika Valden
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Dominating Role of Carrier Localization over Griffiths Inhomogeneity and Phase Separation on Magnetoresistance in High Entropy Manganites J. Phys. Chem. C (IF 3.3) Pub Date : 2024-12-19 Radhamadhab Das, Sujan Sen, Shreyashi Chowdhury, Sudipa Bhattacharya, Sudisha Mondal, Tapas Kumar Mandal, Arup Gayen, Vasundhara Mutta, Md. Motin Seikh
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Multidimensional Catalysis Data Representation for Designing Oxidative Coupling of Methane Catalysts J. Phys. Chem. C (IF 3.3) Pub Date : 2024-12-19 Yoshiki Hasukawa, Fernando Garcia-Escobar, Keisuke Takahashi, Lauren Takahashi
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Bimetallic Pd–Rh Nanoparticles Supported on Co3O4(111): Atomic Ordering and Stability J. Phys. Chem. C (IF 3.3) Pub Date : 2024-12-19 Alexander Simanenko, Jan Škvára, Pankaj Kumar Samal, Lukáš Fusek, Maximilian Kastenmeier, Michal Ronovský, Tomáš Skála, Nataliya Tsud, Sascha Mehl, Viktor Johánek, Josef Mysliveček, Olaf Brummel, Yaroslava Lykhach, Jörg Libuda
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Evolution of Gas Desorption Hysteresis in Coal under Negative-Pressure Condition: Attenuation Mechanism and an Intuitive Index Langmuir (IF 3.7) Pub Date : 2024-12-20 Yushan Wei, Qingquan Liu, Wenyi Huang, Biao Lv, Xingyi Nie, Chenghao Liu, Liang Wang, Yuanping Cheng
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Electrospun Poly(vinyl Alcohol)/Chitin Nanofiber Membrane as a Sustainable Lithium-Ion Battery Separator Langmuir (IF 3.7) Pub Date : 2024-12-20 Muhammad Hikam, Putri P. P. Asri, Faiq H. Hamid, Ahmad Miftahul Anwar, Muhamad Nasir, Afriyanti Sumboja, Lia Amelia Tresna Wulan Asri
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Advanced Liquid-Entrapped Nanosurfaces for Optimized Atmospheric Water Harvesting Langmuir (IF 3.7) Pub Date : 2024-12-20 Ghulam Mohd, Saswati Priyadarshini, Abhigith Nair, Versha Chauhan, Irfan Majeed Bhat, Ahmad Illahie Tantry, Shafeer Kalathil, Kowsar Majid, Saifullah Lone
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Host–Guest Structure Enabling Electrocatalytic Hydrogen Evolution Performance by POM@TM-BDC Composites Langmuir (IF 3.7) Pub Date : 2024-12-20 Binghe Yang, Lige Gong, Hongtao Cui, Jihua Wang, Limin Dong, Yunhao Gu, Hui Li, Meijia Wang
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Research into the Influence of Filtration Media Microstructure on Oil–Water Separation Performance Langmuir (IF 3.7) Pub Date : 2024-12-20 Xiaoyan Liu, Min Lu, Caihua Wang, Guoqiang Xiao, Bao Wang, Lei Chen
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Electrochemiluminescence of N,N′-Dimethylformamide Passivated Black Phosphorus Quantum Dots Langmuir (IF 3.7) Pub Date : 2024-12-19 Shuijian He, Weihan Li, Minsi Li, Zhenlu Liu, Xueliang Sun, Zhifeng Ding
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Cavitation, Hydrophilicity, and Sorption Hysteresis in C–S–H Pores: Coupled Effects of Relative Humidity and Temperature Langmuir (IF 3.7) Pub Date : 2024-12-19 Fatima Masara, Farid Benboudjema, Tulio Honorio
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Enhancement of Methylene Blue Adsorption by Acid–Base Neutralization-Induced Bulging MXene/RGO Composite Foams Langmuir (IF 3.7) Pub Date : 2024-12-19 Wenshuai Jiang, Yaning Wang, Yuxi Wang, Wen Zhou, Jiefen Shen, Qingjun Liu
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Tailored Lead-Free KNN/BFO Perovskite Ferroelectric Film Heterostructures for Enhanced Electrofunctional Properties via Interface-Modulated Bilayer Design Langmuir (IF 3.7) Pub Date : 2024-12-19 Wei Zhang, Bowen Peng, Qian Xu, Xinyi Li, Limin Kang, Xuehua Zhang, Fangren Hu
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Concurrent ultrafast twisting and proton transfer photoreactions in new pyrano[2,3-c]pyrazole derivatives Phys. Chem. Chem. Phys. (IF 2.9) Pub Date : 2024-12-20 Marius Navickas, Karolis Gineitis, Arminas Urbonavičius, Sonata Krikštolė, Vytas Martynaitis, Eglė Arbačiauskienė, Miglė Dagilienė, Algirdas Šačkus, Mikas Vengris
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Tunable electronic band structure of AlP3/Cs3Bi2I6Cl3 van der Waals heterostructure induced by electric field: a first-principles study Phys. Chem. Chem. Phys. (IF 2.9) Pub Date : 2024-12-20 Cheng-Sheng Liao, Qiu-yi Wang, Lin Lang, Yu-Qing Zhao, Yu Zhuoliang
Constructing van der Waals heterostructures (vdWHs) have emerged as an attractive strategy to combine and enhance the optoelectronic properties of stacked materials. Herein, by means of first-principles calculations, we investigate the geometric and electronic structures of the AlP3/Cs3Bi2I6Cl3 vdWH as well as its tunable band structure via external electric field. The AlP3/Cs3Bi2I6Cl3 vdWH is structurally
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Unlocking the potential of Ni-rich LiNi0.9Co0.1O2 cathodes: a DFT investigation of performance-limiting factors Phys. Chem. Chem. Phys. (IF 2.9) Pub Date : 2024-12-19 Temitayo Ojuetimi Ikuerowo, Olusegun Tomomewo, Salawu Omotayo Akande
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Single-Atom Catalysts: Are You Really Single? J. Phys. Chem. Lett. (IF 4.8) Pub Date : 2024-12-19 Ana S. Dobrota, Igor A. Pašti
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Multiconfigurational Electronic Structure of Nickel Cross-Coupling Catalysts Revealed by X-ray Absorption Spectroscopy J. Phys. Chem. Lett. (IF 4.8) Pub Date : 2024-12-19 Kacie J. Nelson, Nathanael P. Kazmierczak, David A. Cagan, Alec H. Follmer, Thais R. Scott, Sumana L. Raj, Douglas Garratt, Natalia Powers-Riggs, Kelly J. Gaffney, Ryan G. Hadt, Amy A. Cordones
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Kinetics of Volatile and Nonvolatile Halide Perovskite Devices: The Conductance-Activated Quasi-Linear Memristor (CALM) Model J. Phys. Chem. Lett. (IF 4.8) Pub Date : 2024-12-19 Agustín Bou, Cedric Gonzales, Pablo P. Boix, Yana Vaynzof, Antonio Guerrero, Juan Bisquert
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The Synergy Effect of Al/Ti Electrodes on Effective Electron Injection for n-Channel Transistors and Ambipolar Complementary Circuits J. Phys. Chem. Lett. (IF 4.8) Pub Date : 2024-12-19 Quanhua Chen, Lijian Chen, Hong Zhu, Walid Boukhili, Guangan Yang, Xiang Wan, Zhihao Yu, Chee Leong Tan, Huabin Sun, Dongyoon Khim, Yong Xu
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Bending Moiré in Twisted Bilayer Graphene J. Phys. Chem. Lett. (IF 4.8) Pub Date : 2024-12-18 ZiBo Zhu, Yuan Hou, HengAn Wu, YinBo Zhu
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Rapid Analysis of DEER Signals Including Short Distances J. Phys. Chem. Lett. (IF 4.8) Pub Date : 2024-12-18 Aritro Sinha Roy, Tufa E. Assafa, Boris Dzikovski, Naman Joshi, Jack H. Freed
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Unveiling Active Al3+ Sites for Ethanol Dehydration on γ-Al2O3 with Solid-State Nuclear Magnetic Resonance Spectroscopy J. Phys. Chem. Lett. (IF 4.8) Pub Date : 2024-12-18 Xue Zhou, Yueying Chu, Chao Wang, Qiang Wang, Min Hu, Jun Xu, Feng Deng
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Oxidation of Silicon Carbide with Atomic Oxygen through the Passive-to-Active Transition J. Phys. Chem. C (IF 3.3) Pub Date : 2024-12-19 David Z. Chen, Chenbiao Xu, Vanessa J. Murray, Pedro Recio, Chloe Miossec, Nadia Balucani, Piergiorgio Casavecchia, Timothy K. Minton
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Effect of Internal Electron Donors on Butadiene Polymerization Catalyzed by the TiCl4/MgCl2 Ziegler–Natta Catalyst J. Phys. Chem. C (IF 3.3) Pub Date : 2024-12-19 RunChuan Zhou, Ang Zhao, Jian Liu, AiHua He, Xia Yang
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Putting the Incoming/Outgoing Correlation (INOUTCO) Ion Imaging Surface Scattering Technique to the Test in O Atom Scattering from Graphite J. Phys. Chem. C (IF 3.3) Pub Date : 2024-12-19 Zibo Zhao, Ximei Yang, Yingqi Wang, Jiamei Quan, Jiami Zhou, Song Gao, Xia Zhou, Gongkui Cheng, Dezhi Qiao, Jiayue Yang, Weiqing Zhang, Xueming Yang, Hua Guo, G. Barratt Park
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Supported Lipid Bilayers as Stochastic Conveyor Belt for Delivery to the Near Field of Nanoscopic Structures J. Phys. Chem. C (IF 3.3) Pub Date : 2024-12-19 Yazgan Tuna, Vahid Sandoghdar
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Effect of the Ti2CTx (Tx = O, OH, and H) Functionalization on the Formation of (TiO2)5/Ti2CTx Composites J. Phys. Chem. C (IF 3.3) Pub Date : 2024-12-19 Néstor García-Romeral, Ángel Morales-García, Francesc Viñes
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Cold-Welding Mechanism and Tensile Behaviors of Cu–Al Nanowires: A Molecular Dynamics Simulation J. Phys. Chem. C (IF 3.3) Pub Date : 2024-12-19 Zhiheng Guo, Dong Chen, Lizhi Li, Danting Zheng, Haosheng Zhao, Zuncheng Zhao
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Investigating the Influence of the Spacer Length on Anion-Exchange Membrane Properties Using a Reactive Molecular Model J. Phys. Chem. C (IF 3.3) Pub Date : 2024-12-19 Thibaut Flottat, Benoit Latour, Florent Goujon, Patrice Hauret, Patrice Malfreyt
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Vibrational and Structural Properties of PTCDA on Ag(110) J. Phys. Chem. C (IF 3.3) Pub Date : 2024-12-19 R. Priya, Peter Jakob
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Mechanical Nonlinearity and Microscale Deformation of Gas Diffusion Layer in Proton Exchange Membrane Fuel Cell J. Phys. Chem. C (IF 3.3) Pub Date : 2024-12-19 Kai Lu, Shunbo Lan, Liang An, Rui Lin
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Accurate Singlet–Triplet Excited States Energy Gap Can Be Mastered by Time-Dependent Density Functional Theory Calculations Based on a Dielectric-Screened Range-Separated Hybrid Functional J. Phys. Chem. C (IF 3.3) Pub Date : 2024-12-18 Roshan Khatri, Barry D. Dunietz
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Uncover Chemical Processes for Silica Surfaces Exposed to Atomic Oxygen Using ReaxFF Reactive Molecular Dynamics J. Phys. Chem. C (IF 3.3) Pub Date : 2024-12-18 Xinbin Ye, Shiwei Hu, Guan Zhang, Yabin Yan, Quanhua Sun, Yuan Hu
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Simultaneous Superconducting and Topological Properties in Mg–Li Electrides at High Pressures J. Phys. Chem. C (IF 3.3) Pub Date : 2024-12-18 Dan Wang, Hongxing Song, Qidong Hao, Guangfa Yang, Hao Wang, Leilei Zhang, Ying Chen, Xiangrong Chen, Huayun Geng
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Hydration Processes of the Proton-Conducting Hexagonal Perovskites Ba7In6–xYxAl2O19 J. Phys. Chem. C (IF 3.3) Pub Date : 2024-12-18 Roman D. Andreev, Irina E. Animitsa
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Influence of the Deviation from Stoichiometry on Transport Properties of Titanium Oxides Thin Films J. Phys. Chem. C (IF 3.3) Pub Date : 2024-12-18 K. Kulinowski, M. Radecka, B. J. Spisak
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Theoretical Insights on the Synergistic Effect of Dual Metal Sites Supported on MgO(100) Promoting the Hydrogenation Reaction J. Phys. Chem. C (IF 3.3) Pub Date : 2024-12-18 Ruifang Xue, Fang-Fang Wang, De-Li Chen, Fumin Zhang, Weidong Zhu
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One Pot Synthesis of Cyan Emitting CdZnSSe Quantum Dots for Human Centric Lighting J. Phys. Chem. C (IF 3.3) Pub Date : 2024-12-18 Abraham J. Jordan, Zhuolei Zhang, Ellie Bennett, Leslie Guadalupe Castro, David Jingbo Han, Iva Rreza, Ayelet Teitelboim, Brian Theobald, Bereket Zekarias, Emory M. Chan, Jonathan S. Owen
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Impact of Surface Adsorption on DNA Structure and Stability: Implications for Environmental DNA Interactions with Iron Oxide Surfaces Langmuir (IF 3.7) Pub Date : 2024-12-19 Eshani Hettiarachchi, Vicki H. Grassian
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Perspective of Tribological Mechanisms for α-Alkene Molecules with Different Chain Lengths from Interface Behavior Langmuir (IF 3.7) Pub Date : 2024-12-19 Xiaolong Liu, Zhiwen Zheng, Juhua Xiang, Hanwei Wang, Haizhong Wang, Dapeng Feng, Dan Qiao, Hansheng Li
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Efficient Removal of Pharmaceutical Contaminants from Aqueous Solution Using Plant-Derived Biosurfactant-Assisted Dissolved Air Flotation Process Langmuir (IF 3.7) Pub Date : 2024-12-19 Gowri Pooja, Ponnusamy Senthil Kumar, Chitra Boobalan, Gayathri Rangasamy
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Oral Curcumin through Mesoporous Silica Nanomaterials with Distinct Morphologies: Synthesis, Characterization, Biosafety Evaluation, and Antioxidant Activity In Vivo Langmuir (IF 3.7) Pub Date : 2024-12-18 Xue Yang, Lu Li, Guoshuo Shang, Meng Zhuo, Huiqing Zhu, Suyue Xu, Jingya Zhao, Xueyan Hou, Yongli Shi
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Enhancement of the Cytokine Adsorption Capacity of Octacalcium Phosphate by Interaction-Controlled Glycosaminoglycan Modification to Promote Osteoblastic Differentiation Langmuir (IF 3.7) Pub Date : 2024-12-18 Ryo Hamai, Kaori Tsuchiya, Osamu Suzuki
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Formation of Nonspherical Cellulose Acetate Microparticles under Microflow Langmuir (IF 3.7) Pub Date : 2024-12-18 Kurumi Mori, Takaichi Watanabe, Tsutomu Ono
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Theoretical and Experimental Investigation of Indazole Derivatives as Corrosion Inhibitors for Copper in Acidic Medium Langmuir (IF 3.7) Pub Date : 2024-12-18 Lian Zhou, Tong Zhao, Zhefeng Li
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What Comes Next: The Fate of Germa, Stanna, and Plumba-closo-Dodecaborate Based Electrolytes in Calcium Ion Batteries Phys. Chem. Chem. Phys. (IF 2.9) Pub Date : 2024-12-19 Mohmmad Faizan, Ravinder Pawar
Recent investigations on plumba- and stanna-closo-bornae-based electrolytes for alkali metal-ion batteries have demonstrated improved ionic conductivities at elevated temperatures. However, the potential of germa, stanna, and plumba borane in divalent ion batteries is uncertain. To address this knowledge gap, a theoretical approach has been adopted to explore the potential of Ge-, Sn-, and Pb-based