Thermomechanical Properties of Nontoxic Plasticizers for Polyvinyl Chloride Predicted from Molecular Dynamics Simulations (English)
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- New search for: Jagarlapudi, Snigdha S.
- New search for: Cross, Heaven S.
- New search for: Das, Tridip
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- New search for: Goddard, William A.
- Further information on Goddard, William A.:
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- New search for: Jagarlapudi, Snigdha S.
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In:
ACS Applied Materials &
Interfaces
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15
, 20
;
24858-24867
;
2023
- Article (Journal) / Electronic Resource
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Title:Thermomechanical Properties of Nontoxic Plasticizers for Polyvinyl Chloride Predicted from Molecular Dynamics Simulations
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Additional title:ACS Appl. Mater. Interfaces
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Contributors:Jagarlapudi, Snigdha S. ( author ) / Cross, Heaven S. ( author ) / Das, Tridip ( author ) / Goddard, William A. ( author )
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Published in:ACS Applied Materials & Interfaces ; 15, 20 ; 24858-24867
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Publisher:
- New search for: American Chemical Society
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Publication date:2023-05-24
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ISSN:
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Coden:
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DOI:
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Type of media:Article (Journal)
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Type of material:Electronic Resource
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Language:English
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Table of contents – Volume 15, Issue 20
The tables of contents are generated automatically and are based on the data records of the individual contributions available in the index of the TIB portal. The display of the Tables of Contents may therefore be incomplete.
- 24013
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Tumor Microenvironment-Inspired Glutathione-Responsive Three-Dimensional Fibrous Network for Efficient Trapping and Gentle Release of Circulating Tumor CellsLuo, Zhouying / He, Yang / Li, Ming / Ge, Yumeng / Huang, Yisha / Liu, Xia / Hou, Jianwen / Zhou, Shaobing et al. | 2023
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Fully Microfabricated Surface Acoustic Wave Tweezer for Collection of Submicron Particles and Human Blood CellsFakhfouri, Armaghan / Colditz, Melanie / Devendran, Citsabehsan / Ivanova, Kateryna / Jacob, Stefan / Neild, Adrian / Winkler, Andreas et al. | 2023
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Stepwise Multi-Cross-Linking Bioink for 3D Embedded Bioprinting to Promote Full-Thickness Wound HealingHao, Lili / Tao, Xiwang / Feng, Miao / Zhou, Ke / He, Yiyan / Yang, Jun / Mao, Hongli / Gu, Zhongwei et al. | 2023
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SERS Nanowire Chip and Machine Learning-Enabled Classification of Wild-Type and Antibiotic-Resistant Bacteria at Species and Strain LevelsDas, Sathi / Saxena, Kanchan / Tinguely, Jean-Claude / Pal, Arijit / Wickramasinghe, Nima L. / Khezri, Abdolrahman / Dubey, Vishesh / Ahmad, Azeem / Perumal, Vivekanandan / Ahmad, Rafi et al. | 2023
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Phenotype Switching of Breast Cancer Cells upon Matrix Interface CrossingRiedl, Philipp / Sapudom, Jiranuwat / Clemens, Cornelia / Orgus, Laura / Pröger, Alexandra / Teo, Jeremy C. M. / Pompe, Tilo et al. | 2023
- 24071
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Engineered Biomimetic Copper Sulfide Nanozyme Mediates “Don’t Eat Me” Signaling for Photothermal and Chemodynamic Precision Therapies of Breast CancerZhan, Zhu / Zeng, Weiqiong / Liu, Junzhao / Zhang, Liang / Cao, Yang / Li, Pan / Ran, Haitao / Wang, Zhigang et al. | 2023
- 24084
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Characterizing the Interactions of Cell-Membrane-Disrupting Peptides with Lipid-Functionalized Single-Walled Carbon NanotubesYadav, Anju / Kelich, Payam / Kallmyer, Nathaniel / Reuel, Nigel F. / Vuković, Lela et al. | 2023
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Assembly of Reusable DNA Blocks for Data Storage Using the Principle of Movable Type PrintingXu, Chengtao / Ma, Biao / Dong, Xing / Lei, Lanjie / Hao, Qing / Zhao, Chao / Liu, Hong et al. | 2023
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Antibody-Conjugated Electrospun Nanofibers for Electrochemical Detection of MethamphetamineAtik, Gozde / Kilic, Nur Melis / Horzum, Nesrin / Odaci, Dilek / Timur, Suna et al. | 2023
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Composite Hydrogel Conduit Incorporated with Platelet-Rich Plasma Improved the Regenerative Microenvironment for Peripheral Nerve RepairDong, Qi / Yang, Xindi / Liang, Xiao / Liu, Jing / Wang, Binyi / Zhao, Yanteng / Huselstein, Céline / Feng, Xiaolin / Tong, Zan / Chen, Yun et al. | 2023
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Chemodynamic/Photothermal Synergistic Cancer Immunotherapy Based on Yeast Microcapsule-Derived Au/Pt NanoparticlesZhang, Runzan / Qin, Xianya / Lu, Junyu / Xu, Hongbo / Zhao, Siyu / Li, Xiaonan / Yang, Conglian / Kong, Li / Guo, Yuanyuan / Zhang, Zhiping et al. | 2023
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Design of High-Selectivity Co-Assembled Peptide Nanofibers against Bacterial Infection in PigletsXu, Shenrui / Tan, Peng / Tang, Qi / Wang, Tao / Ding, Yakun / Zhou, Chenlong / Zhang, Yucheng / Fu, Huiyang / Yue, Zitian / Ma, Xi et al. | 2023
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Blood-Glucose-Depleting Hydrogel Dressing as an Activatable Photothermal/Chemodynamic Antibacterial Agent for Healing Diabetic WoundsZhu, Wei / Liu, Ya-Qin / Liu, Pei / Cao, Jun / Shen, Ai-Guo / Chu, Paul K. et al. | 2023
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Dual-Stimuli-Responsive and Anti-Freezing Conductive Ionic Hydrogels for Smart Wearable Devices and Optical Display DevicesLei, Dongmei / Xiao, Yunchao / Shao, Leihou / Xi, Man / Jiang, Yang / Li, Yi et al. | 2023
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KR-12 Derivatives Endow Nanocellulose with Antibacterial and Anti-Inflammatory Properties: Role of Conjugation ChemistryBlasi-Romero, Anna / Ångström, Molly / Franconetti, Antonio / Muhammad, Taj / Jiménez-Barbero, Jesús / Göransson, Ulf / Palo-Nieto, Carlos / Ferraz, Natalia et al. | 2023
- 24197
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Bridging the Gap in Ashby’s Map for Soft Material Properties for Tissue EngineeringLou, Lihua / Paolino, Lia / Agarwal, Arvind et al. | 2023
- 24209
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Quaternary Pullulan-Functionalized 2D MoS2 Glycosheets: A Potent Bactericidal Nanoplatform for Efficient Wound Disinfection and HealingRoy, Shounak / Haloi, Prakash / Choudhary, Rajat / Chawla, Saurabh / Kumari, Monika / Konkimalla, V. Badireenath / Jaiswal, Amit et al. | 2023
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Dual Burst and Sustained Release of p‑Coumaric Acid from Shape Memory Polymer Foams for Polymicrobial Infection Prevention in Trauma-Related Hemorrhagic WoundsDu, Changling / Fikhman, David Anthony / Persaud, Devanand / Monroe, Mary Beth Browning et al. | 2023
- 24244
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Osmotically Rupturing Phagosomes in Macrophages Using PNIPAM MicroparticlesCheng, Wenhao / Fukuda, Masahiro / Kim, Sundol / Liu, Yuan / Chen, Xingchi / Holmes, Christina / Li, Yan / Chung, Hoyong / Ren, Yi / Guan, Jingjiao et al. | 2023
- 24257
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Durability and Performance Analysis of Polymer Electrolyte Membranes for Hydrogen Fuel Cells by a Coupled Chemo-mechanical Constitutive Model and Experimental ValidationLim, Hyoung Jun / Kim, Geonwoo / Yun, Gun Jin et al. | 2023
- 24271
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Dynamic Electrode–Electrolyte Intermixing in Solid-State Sodium Nano-BatteriesNuwayhid, R. Blake / Kozen, Alexander C. / Long, Daniel M. / Ahuja, Kunal / Rubloff, Gary W. / Gregorczyk, Keith E. et al. | 2023
- 24284
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Highly Porous Iridium Thin Electrodes with Low Loading and Improved Reaction Kinetics for Hydrogen Generation in PEM Electrolyzer CellsDing, Lei / Wang, Weitian / Xie, Zhiqiang / Li, Kui / Yu, Shule / Capuano, Christopher B. / Keane, Alex / Ayers, Kathy / Zhang, Feng-Yuan et al. | 2023
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Insight into Enhanced Microwave Heating for Ammonia Synthesis: Effects of CNT on the Cs–Ru/CeO2 CatalystAraia, Alazar / Wang, Yuxin / Jiang, Changle / Brown, Siobhan / Caiola, Ashley / Robinson, Brandon / Li, Wenyuan / Hu, Jianli et al. | 2023
- 24306
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Two-Dimensional Siloxene Nanosheets: Impact of Morphology and Purity on ElectrochemistryLuo, Jessica / Arnot, David J. / King, Steven T. / Kingan, Arun / Nicoll, Andrew / Tong, Xiao / Bock, David C. / Takeuchi, Esther S. / Marschilok, Amy C. / Yan, Shan et al. | 2023
- 24319
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Direct Urea/H2O2 Fuel Cell with a Hierarchical Porous Nanoglass Anode for High-Efficiency Energy ConversionPei, Chaoqun / Chen, Shuangqin / Zhou, Mingjie / Chen, Xianhao / Sun, Baoan / Lan, Si / Hahn, Horst / Feng, Tao et al. | 2023
- 24329
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Nanoscale Ni–NiO–ZnO Heterojunctions for Switchable Dehydrogenation and Hydrogenation through Modulation of Active SitesShelte, Amishwar Raysing / Patil, Rahul Daga / Karan, Santanu / Bhadu, Gopala R. / Pratihar, Sanjay et al. | 2023
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- 24366
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- 24387
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Influence of Halides on the Interactions of Ammonium Acids with Metal Halide PerovskitesLi, Yanan / Lohr, Patrick J. / Segapeli, Allison / Baltram, Juliana / Werner, Dorian / Allred, Alex / Muralidharan, Krishna / Printz, Adam D. et al. | 2023
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- 24416
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- 24504
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Redox-Active and Urea-Engineered-Entangled MOFs for High-Efficiency Water Oxidation and Elevated Temperature Advanced CO2 Separation Cum Organic-Site-Driven Mild-Condition CycloadditionSingh, Manpreet / Karmakar, Arun / Seal, Nilanjan / Mondal, Partha Pratim / Kundu, Subrata / Neogi, Subhadip et al. | 2023
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Branched Poly(arylene ether ketone sulfone)s with Ultradensely Sulfonated Branched Centers for Proton Exchange Membranes: Effect of the Positions of the Sulfonic Acid GroupsXie, Yunji / Liu, Di / Ringuette, Anna / Théato, Patrick et al. | 2023
- 24528
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Humin Formation on SBA-15-pr-SO3H Catalysts during the Alcoholysis of Furfuryl Alcohol to Ethyl Levulinate: Effect of Pore Size on Catalyst Stability, Transport, and AdsorptionDi Carmine, Graziano / Leonardi, Costanza / Forster, Luke / Hu, Min / Lee, Daniel / Parlett, Christopher M. A. / Bortolini, Olga / Isaacs, Mark A. / Massi, Alessandro / D’Agostino, Carmine et al. | 2023
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High-Performance Uncooled Mid-Infrared Detector Based on a Polycrystalline PbSe/CdSe HeterojunctionQiu, Jijun / Su, Leisheng / McDowell, Lance L. / Phan, Quang / Liu, Yun / Zhang, Guodong / Yang, Yiming / Shi, Zhisheng et al. | 2023
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Transmutation Engineering Makes a Large Class of Stable and Exfoliable A3BX2 Compounds with Exceptional High Magnetic Critical Temperatures and Exotic Electronic PropertiesLong, De-Bing / Yang, Li-Ming et al. | 2023
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Tetra-Nuclear Cluster-Based Lanthanide Metal–Organic Frameworks as White Phosphor, Information Encryption, Self-Calibrating Thermometers, and Fe2+ SensorsCheng, Yuanhong / Wu, Mingjian / Du, Ziyi / Chen, Yun / Zhao, Lingyi / Zhu, Zhiwei / Yu, Xiaobo / Yang, Yangyi / Zeng, Chenghui et al. | 2023
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Space-Charging Interfacial Layer by Illumination for Efficient Sb2S3 Bulk-Heterojunction Solar Cells with High Open-Circuit VoltageLiu, Rong / Shen, Zhitao / Zhu, Liangxin / Huang, Jia / Li, Huilin / Chen, Junwei / Dong, Chao / Chen, Tao / Yang, Shangfeng / Chen, Chong et al. | 2023
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Superior Large-Signal Piezoelectric Coefficient in Textured NBT-Based Piezoceramics by Template-Induced Structure and Composition ModulationLiu, Kai / Ma, Weigang / Ben, Ningyu / Zhu, Hai / Xu, Wenwei / Gao, Huayun / Samart, Chanatip / Kongparakul, Suwadee / Zhang, Haibo / Tan, Hua et al. | 2023
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Optoelectronic Devices of Large-Scale Transferred All-Inorganic Lead Halide Perovskite Thin FilmsGuo, Xiangyu / Han, Qi / Wang, Jun / Tian, Shuangshuang / Bai, Rongxu / Zhao, Haibin / Zou, Xingli / Lu, Xionggang / Sun, Qingqing / Zhang, David W. et al. | 2023
- 24614
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Ferroelectric–Ferroelastic Transitions in (Na0.5Bi0.5)TiO3‑BaTiO3 Single CrystalsHuangfu, Geng / Chen, Jianwei / Jiao, Jie / Guo, Yiping / Luo, Haosu et al. | 2023
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Low-Temperature Solution Synthesis of Stable Cs3Cu2Br5 Single Crystals for Visible Light CommunicationsLiang, Dehai / Tan, Lin / Lu, Shirong / Sun, Zhe / Wang, Huaxin / Cai, Wensi / Zang, Zhigang et al. | 2023
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Tunable and Efficient Photoluminescence of Lanthanide-Doped Cs2NaScCl6 Double Perovskite Single Crystals toward Multifunctional Light-Emitting Diode ApplicationsYang, Gang / Bai, Songchao / Li, Xueguo / Liang, Hao / Li, Chao / Sun, Jie / Wang, Yinhua / Huang, Jinshu / Pan, Gencai / Zhu, Yongsheng et al. | 2023
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Hybrid Supported Lipid Bilayers for Bioinspired Bioelectronics with Enhanced StabilitySchafer, Emily A. / Davis, Eliana / Manzer, Zachary / Daniel, Susan / Rivnay, Jonathan et al. | 2023
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Self-Healable Conductive Hydrogels with High Stretchability and Ultralow Hysteresis for Soft ElectronicsPrameswati, Ajeng / Nurmaulia Entifar, Siti Aisyah / Han, Joo Won / Wibowo, Anky Fitrian / Kim, Jung Ha / Sembiring, Yulia Shara br / Park, Jihyun / Lee, Jonghee / Lee, Ah-Young / Song, Myoung Hoon et al. | 2023
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Eco-Friendly Solvent-Processed Dithienosilicon-Bridged Carbazole-Based Small-Molecule Acceptors Achieved over 25.7% PCE in Ternary Devices under Indoor ConditionsBusireddy, Manohar Reddy / Huang, Sheng-Ci / Su, Yi-Jia / Lee, Ze-Ye / Wang, Chuan-Hsin / Scharber, Markus C. / Chen, Jiun-Tai / Hsu, Chain-Shu et al. | 2023
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Impact of the Molecular Structure of Oligo(ethylene glycol)-Incorporated Y‑Series Acceptors on the Formation of Alloy-like Acceptors and Performance of Non-Halogenated Solvent-Processable Organic Solar CellsKim, Changkyun / Lee, Ji Hyun / Park, Jin Su / Lee, Seungjin / Phan, Tan Ngoc-Lan / Kim, Yun-Hi / Kim, Bumjoon J. et al. | 2023
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Lyotropic Boron Nitride Nanotube Liquid Crystals: Preparation, Characterization, and Wet-Spinning for Fabrication of Composite FiberLim, Hongjin / Kim, Young-Kyeong / Kim, Hong-Sik / Lee, Taegeon / Hossain, Md Monir / Jeong, Hyun-Oh / Lee, Heon Sang / Cho, Hyunjin / Joo, Yongho / Lee, Sang Seok et al. | 2023
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Energy Partitioning in Multicomponent Nanoscintillators for Enhanced Localized RadiotherapySecchi, Valeria / Cova, Francesca / Villa, Irene / Babin, Vladimir / Nikl, Martin / Campione, Marcello / Monguzzi, Angelo et al. | 2023
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Metal–Organic Frameworks Encaged Ru Single Atoms for Rapid Acetylene Harvest and Activation in HydrochlorinationFan, Yurui / Liu, Zhisong / Sun, Songyuan / Huang, Wenjun / Ma, Lei / Qu, Zan / Yan, Naiqiang / Xu, Haomiao et al. | 2023
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ATP-Enhanced Multistimuli-Responsive Förster Resonance Energy Transfer in Organic CoassembliesBiswas, Rakesh / Banerjee, Supratim et al. | 2023
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Paddy-Straw-Derived Graphene Quantum Dots Reinforced Vertical Aligned Zinc Oxide Nanosheet-Based Flexible Triboelectric Nanogenerator for Self-Powered UV Sensors and Tribotronics ApplicationSrivastava, Ankit / Badatya, Simadri / Chaturvedi, Ashish Kumar / Kashyap, Deepak Kumar / Srivastava, Avanish Kumar / Gupta, Manoj Kumar et al. | 2023
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Alkali-Etched Imprinted Mn-Based Prussian Blue Analogues with Superior Oxidase-Mimetic Activity and Precise Recognition for Tetracycline Colorimetric SensingLiu, Bangxiang / Zhu, Hengjia / Liu, Jinjin / Wang, Mengzhu / Pan, Jianming / Feng, Rulin / Hu, Panwang / Niu, Xiangheng et al. | 2023
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Sulfonated Polyaniline-Grafted Two-Dimensional Ti3C2‑MXene (SPANI-MXene) Nanoplatform for Designing an Advanced Smart Self-Healable Coating SystemAhadiParsa, Mobina / Dehghani, Ali / Ramezanzadeh, Bahram et al. | 2023
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Postmodification of an Amine-Functionalized Covalent Organic Framework for Enantioselective Adsorption of TyrosineTang, Xihao / Yang, Yixuan / Li, Xinle / Wang, Xingjie / Guo, Dong / Zhang, Shuyuan / Zhang, Kai / Wu, Jialin / Zheng, Jiayue / Zheng, Shengrun et al. | 2023
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Thermomechanical Properties of Nontoxic Plasticizers for Polyvinyl Chloride Predicted from Molecular Dynamics SimulationsJagarlapudi, Snigdha S. / Cross, Heaven S. / Das, Tridip / Goddard, William A. et al. | 2023
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Application of Poly(caffeic acid) for the Extraction of Critical Rare Earth ElementsAdhikari, Sandhya / Sunder, Govind Sharma Shyam / Poudel, Abiral / Asfaha, Timnit Yosef / Lawrence, Joseph Gerard / Kandage, Manjula M. / Marszewski, Michal / Kirchhoff, Jon R. et al. | 2023
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Transparent and Flexible Composite Films with Excellent Electromagnetic Interference Shielding and Thermal Insulating PerformanceChen, Qiguo / Huang, Li / Wang, Xihua / Yuan, Ye et al. | 2023
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A Paper-Based Fluorescent Sensor for Rapid Early Screening of Oral Squamous Cell CarcinomaHe, Zejian / Huang, Jianyao / Shen, Wenyi / Lei, Xiaoyue / Zhang, Yifan / Zhu, Liangliang / Shen, Xinyi / Zhang, Dong / Yu, Dan / Zhou, Mi et al. | 2023
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Flexible and Transparent Electronic Skin Sensor with Sensing Capabilities for Pressure, Temperature, and HumidityChen, Liangren / Xu, Youquan / Liu, Yinfeng / Wang, Jing / Chen, Jianwen / Chang, Xiaohua / Zhu, Yutian et al. | 2023
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Multifunctional MXene Conductive Zwitterionic Hydrogel for Flexible Wearable Sensors and ArraysGuo, Wen-Yan / Mai, Tian / Huang, Ling-Zhi / Zhang, Wei / Qi, Meng-Yu / Yao, Chunli / Ma, Ming-Guo et al. | 2023
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Transformations and Environmental Impacts of Copper Zinc Tin Sulfide Nanoparticles and Thin FilmsPramanik, Sunipa / Trejo, Nancy / Mclntire, Eileen / Hudson-Smith, Natalie V. / Tuga, Beza / He, Jiayi / Aydil, Eray / Haynes, Christy L. et al. | 2023
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Effect of Salt Concentration on the Interfacial Solvation Structure and Early Stage of Solid–Electrolyte Interphase Formation in Ca(BH4)2/THF for Ca BatteriesYang, Zhenzhen / Leon, Noel J. / Liao, Chen / Ingram, Brian J. / Trahey, Lynn et al. | 2023
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Correction to “Selectively Tuning the Substrate Adhesion Strength of Aligned Carbon Nanotube Arrays via Thermal Postgrowth Processing”Kaiser, Ashley L / Acauan, Luiz H. / Vanderhout, Amy R. / Zaman, Azreen / Lidston, Dale L. / Stein, Itai Y. / Wardle, Brian L. et al. | 2023