Article
Chemistry, Multidisciplinary
Diana Nelli, El Yakout El Koraychy, Manuella Cerbelaud, Benoit Crespin, Arnaud Videcoq, Alberto Giacomello, Riccardo Ferrando
Summary: The solidification of AgCo, AgNi, and AgCu nanodroplets in the size range of 2-8 nm was studied using molecular dynamics simulations. Despite the surface segregation of Ag in the bulk solid, the simulations revealed clear differences in the solidification pathways. AgCo and AgNi separate in the liquid phase and solidify close to equilibrium, while AgCu remains in a kinetically trapped state and solidifies in one step. An analytical model was used to rationalize these differences and analyze the size dependence of solidification temperatures.
Article
Chemistry, Multidisciplinary
Namhyung Kim, Hyungyeon Cha, Sujong Chae, Taeyong Lee, Yoonkwang Lee, Yujin Kim, Jaekyung Sung, Jaephil Cho
Summary: A stable lithium metal host with a defective graphene shell on a carbon matrix is proposed, which can guide dendrite-free lithium deposition and accommodate a rational amount of metallic lithium without severe cell volume change. This host exhibits good cycle stability (87.2% after 500 cycles) and low dimension variation (9 μm) in carbonate electrolyte full-cell evaluations. It also achieves improved cycling performance in the argyrodite Li6PS5Cl based high energy density all-solid-state battery full-cell configuration.
ENERGY & ENVIRONMENTAL SCIENCE
(2023)
Article
Chemistry, Multidisciplinary
Ankita Tripathi, Kshatresh Dutta Dubey
Summary: This study demonstrates a method to enhance promiscuity, called allostery-driven promiscuity, using molecular dynamics simulations and hybrid QM/MM calculations. By studying the AEE enzyme, the authors show that a single site mutation can induce conformational changes in the capping loop, allowing recognition of different substrates for different functions.
CHEMISTRY-AN ASIAN JOURNAL
(2022)
Article
Chemistry, Multidisciplinary
Lingjuan Hu, Qin Li, Yunjun Luo, Bixin Jin, Shumeng Chi, Xiaoyu Li
Summary: A one-step method was used to assemble cylindrical micelles with highly controllable lengths from a single liquid crystalline block copolymer. The lengths of the micelles can be controlled by adjusting the assembly conditions, with the solvent quality being a key factor. This strategy allows for the production of uniform micelles on a decent scale and demonstrates a significant toughening effect for glassy thermoplastics.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Article
Thermodynamics
Geehong Choi, Maroosol Yun, Wei-Ting Hsu, Dong Il Shim, Donghwi Lee, Beom Seok Kim, Hyung Hee Cho
Summary: In this study, a new nucleation patterned surface was proposed by embedding micropillar-free cavities in a micropillar array and coating them with rGO to suppress bubble coalescence and enhance boiling heat transfer. High heat transfer performance was achieved by constructing toned rGO layers on the patterned micropillar surfaces.
INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER
(2022)
Article
Chemistry, Multidisciplinary
Yuzhuang Fu, Fangfang Fan, Binju Wang, Zexing Cao
Summary: Enzymatic degradation of pesticides paraoxon (PON) and parathion (PIN) by phosphotriesterase (PTE) has been studied using QM/MM calculations and MD simulations. The results reveal that the hydrolysis reactions are driven by nucleophilic attack and the rate-limiting step is the two-step hydrolytic process.
CHEMISTRY-AN ASIAN JOURNAL
(2022)
Article
Chemistry, Physical
Joseph P. Heindel, Sotiris S. Xantheas
Summary: A protocol for classical and nuclear quantum dynamics is presented, utilizing the many-body expansion (MBE) for generating energies and forces, applied to water clusters using different interaction potentials at various temperatures. Results show that a four-body description of energies and forces is essential for accurate anharmonic vibrational frequencies.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION
(2021)
Article
Chemistry, Multidisciplinary
Dor Zaguri, Manuela R. Zimmermann, Georg Meisl, Aviad Levin, Sigal Rencus-Lazar, Tuomas P. J. Knowles, Ehud Gazit
Summary: The study found that the aggregation propensity of three phenylalanine-containing molecules increases significantly with size, with triphenylalanine being the most aggregation-prone species under experimental conditions. In the context of classical nucleation theory, this increase in aggregation propensity is attributed to the larger free energy decrease upon aggregation of larger peptides, and not to the presence/absence of a peptide bond per se. This work provides insights into the aggregation processes of chemically simple systems and suggests that both backbone-containing peptides and backbone-lacking amino acids assemble through a similar mechanism, supporting the classification of amino acids in the continuum of amyloid-forming building blocks.
Article
Multidisciplinary Sciences
Alexander Hensley, William M. Jacobs, W. Benjamin Rogers
Summary: DNA-coated colloids can self-assemble into various crystal structures, and we have used microfluidics to quantify the kinetics of crystallization. Our study shows that classical theories can accurately predict nucleation and growth rates, and we have successfully designed large single crystals with specific structural coloration.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
(2022)
Article
Chemistry, Multidisciplinary
Hai Huang, Xiaobin Tang, Kun Xie, Qing Peng
Summary: This study uses atomistic simulations to investigate the relationship between irradiation damage behavior of graphene and defect sink efficiency of the nickel-graphene interface. It was found that damaged regions of graphene could enhance the trapping ability of the interface to defects, providing abundant recombination and annihilation sites for irradiation defects and strengthening the energetic and kinetic driving forces of the interface. This reveals a new possible interface-mediated damage healing mechanism in irradiated materials.
JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS
(2021)
Article
Physics, Applied
Bishakha Ray, Saurabh Parmar, Ashutosh Abhyankar, Suwarna Datar
Summary: This work investigates the magnetic properties of graphene nanoribbons (GNRs) conjugated with magnetic nanoparticles at the nanoscale. Magnetic force microscopy (MFM) is used to study the effect of varying concentrations of Fe3O4 and Ni nanoparticles on the magnetic domain structure of GNRs. The results show that the concentration of magnetic nanoparticles conjugated with GNRs influences their magnetic properties and the imaged magnetic domain structure. Vibrating sample magnetometry (VSM) studies support the findings of the nano-domain studies done using MFM.
JOURNAL OF APPLIED PHYSICS
(2023)
Article
Nanoscience & Nanotechnology
Zhe Chen, Arash Khajeh, Ashlie Martini, Seong H. Kim
Summary: The high friction at step edges on graphite surfaces is due to stick-slip behavior facilitated by topographical changes and atomic interactions, rather than the buckling or peeling deformation of graphene. Experimental results and simulations show that the mechanisms proposed have identifiable features in lateral force and vertical height profiles, with the stick-slip behavior being the main cause of high friction.
ACS APPLIED MATERIALS & INTERFACES
(2021)
Article
Biochemistry & Molecular Biology
Miquel Canyelles-Nino, Angels Gonzalez-Lafont, Jose M. Lluch
Summary: LTA(4)H is an important enzyme that converts LTA(4) into LTB4, a potent chemotactic agent involved in inflammatory diseases. The enzyme acts through a unique mechanism, involving the attachment of a water molecule to the carbon backbone of LTA(4) several units away from the epoxide moiety. Molecular stacking and noncovalent interactions also play a crucial role in the reaction.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2022)
Article
Materials Science, Ceramics
Jiawen Wu, Wentao Xu, Tianwen Dong, Ming Jin, Youfu Zhou
Summary: Incorporating graphene into ceramic matrices can create a fine microstructure with unique interfaces, allowing for the combination of excellent mechanical and electrical properties in bulk quantities. This study proposes a self-assembly strategy for the fabrication of graphene oxide-ZrO2 hybrids, achieving homogeneous and nondestructive results. The resulting composites exhibit improved flexural strength, fracture toughness, and reduced anisotropy.
CERAMICS INTERNATIONAL
(2022)
Article
Chemistry, Multidisciplinary
Hossein Eslami, Florian Mueller-Plathe
Summary: The self-assembly of triblock Janus particles and the relative stability of different lattices were simulated. The nucleation process consists of two steps: the formation of a compact and disordered liquid cluster, followed by the reorientation of particles to form crystalline nuclei. The nucleation barriers for pyrochlore and perovskite were similar to previously studied 2D kagome lattices, while the barrier for diamond was larger.
Article
Chemistry, Multidisciplinary
Song Zhang, Zhe Li, Yu Bao, Song Lu, Zheng Gong, Hu-jun Qian, Zhong-yuan Lu, Shuxun Cui
Summary: As the initially discovered allotrope of boron, amorphouselementaryboron (AE-B) has been reported for more than two centuries. Severalpossible structures of AE-B have been proposed during the past decades. However, the noncrystalline nature of AE-B has made it difficult to determine its structure. By analyzing the surface adsorption and using techniques such as atomic force microscopy and high-resolution transmission electron microscopy, researchers have been able to characterize the molecular structure of AE-B at the single-molecule and nanoscopic level.
Article
Materials Science, Multidisciplinary
Massimiliano Lupo Pasini, Gang Seob Jung, Stephan Irle
Summary: We developed HydraGNN, a PyTorch-based architecture, which utilizes graph convolutional neural networks (GCNNs) to predict the formation energy and bulk modulus of solid solution alloy models with different atomic crystal structures and relaxed volumes. The GCNN surrogate model was trained using a dataset for nickel-niobium (NiNb) generated by the embedded atom model (EAM) empirical interatomic potential for demonstration purposes. The dataset was generated by calculating the formation energy and bulk modulus for optimized geometries starting from initial body-centered cubic (BCC), face-centered cubic (FCC), and hexagonal compact packed (HCP) crystal structures, covering the possible compositional range for each structure type. Numerical results demonstrate that the GCNN model effectively predicts the formation energy and bulk modulus based on the optimized crystal structure, relaxed volume, and configurational entropy of the solid solution alloy models.
COMPUTATIONAL MATERIALS SCIENCE
(2023)
Article
Chemistry, Physical
Van-Quan Vuong, Caterina Cevallos, Ben Hourahine, Balint Aradi, Jacek Jakowski, Stephan Irle, Cristopher Camacho
Summary: We accelerated the density-functional tight-binding (DFTB) method on single and multiple graphical processing units (GPUs) using the MAGMA linear algebra library. Our implementation addressed two major computational bottlenecks of DFTB ground-state calculations: the Hamiltonian matrix diagonalization and the density matrix construction. The code was tested on the SUMMIT IBM Power9 supercomputer and an in-house Intel Xeon computer, showing good performance and parallel scalability for carbon nanotubes, covalent organic frameworks, and water clusters.
JOURNAL OF CHEMICAL PHYSICS
(2023)
Article
Chemistry, Physical
Rabi Khanal, Stephan Irle
Summary: We studied the electron transport within the MXene layers as a function of composition and found a linear relationship between current and voltage at lower potentials in all MXene compositions, indicating their metallic character. However, the conductivity varies among different compositions, with MXenes without surface terminations exhibiting higher conductivity compared to MXenes with surface functionalization. The conductivity also changes with the ratio of -O and -OH on the MXene surface. The surface composition-dependent conductivity of MXenes provides a way to enhance the pseudocapacitive performance.
JOURNAL OF CHEMICAL PHYSICS
(2023)
Article
Chemistry, Multidisciplinary
Andrew E. Blanchard, Debsindhu Bhowmik, Zachary Fox, John Gounley, Jens Glaser, Belinda S. Akpa, Stephan Irle
Summary: The vast chemical space requires computational approaches to automate molecular sequence design for drug discovery. Genetic algorithms and masked language models are used to generate mutations in known chemical structures. The adaptive strategy of training the language model on new generations of molecules selected for target properties improves fitness optimization compared to the fixed pre-trained model. The application of language models to molecular design tasks is empowered by the adaptive strategy and demonstrates significant improvements in fitness optimization.
JOURNAL OF CHEMINFORMATICS
(2023)
Review
Energy & Fuels
Krishna K. Ghose, Joshua J. Brown, Terry J. Frankcombe, Alister Page, Alicia Bayon
Summary: Water splitting driven by solar energy is a promising strategy for producing renewable hydrogen with minimal environmental impact. Perovskite oxides have unique structural features that make them suitable for water splitting applications. Density functional theory (DFT) calculations are used to accurately predict the critical properties of perovskite oxides relevant to water splitting processes. The challenges associated with the choice of exchange-correlation functional in DFT methods are discussed in this review.
WILEY INTERDISCIPLINARY REVIEWS-ENERGY AND ENVIRONMENT
(2023)
Article
Chemistry, Physical
Kasimir P. Gregory, Grant B. Webber, Erica J. Wanless, Alister J. Page
Summary: Hofmeister effects and specific ion effects are common in biological systems, but they may not always follow the Hofmeister series in complex biological systems like ion channels. Studying the interaction energies between anions and amino acids can help explain why certain binding interactions are favored. The strength of interactions follows the Hofmeister series and increases with the polarity of amino acids, except for negatively charged amino acid side chains. Interactions involving both the side chain and protic moieties of the backbone are generally most favorable, and the total interaction energy is primarily determined by the electrostatic component and the thorn ('sho') value of the anion.
ELECTRONIC STRUCTURE
(2023)
Article
Computer Science, Artificial Intelligence
Gang Seob Jung, Hunjoo Myung, Stephan Irle
Summary: Understanding the mechanics and failure of materials at the nanoscale is crucial. Neural network potentials (NNPs) have emerged as a promising tool for accurate and efficient modeling. However, their application to deformation and failure processes in materials is still limited.
MACHINE LEARNING-SCIENCE AND TECHNOLOGY
(2023)
Article
Chemistry, Physical
Zhao Qian, Rui Shi, Zhong-Yuan Lu, Hu-Jun Qian
Summary: In this study, a solvent evaporation strategy was reported to spontaneously generate perpendicularly oriented domains (PODs) in drying DBC films through interface segregation of SCNPs. This strategy could be useful in regulating the PODs of DBC films in practical applications.
JOURNAL OF CHEMICAL PHYSICS
(2023)
Article
Chemistry, Physical
Thomas Bourke, Kasimir P. Gregory, Alister J. Page
Summary: The origins and behaviour of specific ion effects have been extensively studied in water and nonaqueous molecular solvents. However, the impacts of specific ion effects on more complex solvents, such as nanostructured ionic liquids, are still unclear. This study hypothesizes that the influence of dissolved ions on the hydrogen bonding in nanostructured ionic liquid PAN constitutes a specific ion effect.
JOURNAL OF COLLOID AND INTERFACE SCIENCE
(2023)
Article
Chemistry, Physical
Sophie Baker, Joshua Pagotto, Timothy T. Duignan, Alister J. Page
Summary: Neural network potentials have proven to be an efficient tool for accelerating ab initio molecular dynamics simulations. This study explores the use of existing DFTB molecular dynamics data to train graph neural network potentials and accurately reproduce solvation structures in NaCl solutions.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2023)
Article
Chemistry, Multidisciplinary
Anand Kumar, Vincent S. J. Craig, Hayden Robertson, Alister J. Page, Grant B. Webber, Erica J. Wanless, Valerie D. Mitchell, Gunther G. Andersson
Summary: Using neutral impact collision ion scattering spectroscopy (NICISS), the concentration depth profiles (CDPs) of various monovalent ions at the vapor-formamide interface were directly measured. The results reveal a reverse Hofmeister series in the presence of inorganic ions at the vapor-formamide interface compared to the water-vapor interface, with the CDPs being independent of the counterion for most ions studied.
Article
Chemistry, Multidisciplinary
Xinyu Li, Javen Qinfeng Shi, Alister J. Page
Summary: Despite the current challenges in commercial-scale graphene production using chemical vapor deposition (CVD), this study introduces a new approach combining high-throughput density functional theory and machine learning to identify new prospective catalyst materials with comparable performance to established catalysts. The approach discovered combinations of early- and late-transition metals, including unconventional partners like Zr, Hf, and Nb. This study highlights the importance of finding novel catalyst materials for CVD growth of low-dimensional nanomaterials.
Article
Chemistry, Physical
Xinyu Li, Raymond Chiong, Zhongyi Hu, Alister J. Page
Summary: This study demonstrates the use of local environment pooling instead of global pooling in conjunction with graph neural networks to predict adsorption energy. We achieved mean absolute errors of 0.096 and 0.073 eV in predicting CO and H adsorption energies, respectively, on transition metal catalyst surfaces, surpassing the performance of previously reported state-of-the-art machine learning models.
COMPUTATIONAL AND THEORETICAL CHEMISTRY
(2023)
Meeting Abstract
Chemistry, Physical
Robert K. Szilagyi, Nicholas P. Stadie, Stephan Irle, Hirotomo Nishihara
Article
Chemistry, Multidisciplinary
Laetitia Bardet, Herve Roussel, Stefano Saroglia, Masoud Akbari, David Munoz-Rojas, Carmen Jimenez, Aurore Denneulin, Daniel Bellet
Summary: The thermal instability of silver nanowires leads to increased electrical resistance in AgNW networks. Understanding the relationship between structural and electrical properties of AgNW networks is crucial for their integration as transparent electrodes in flexible optoelectronics. In situ X-ray diffraction measurements were used to study the crystallographic evolution of Ag-specific Bragg peaks during thermal ramping, revealing differences in thermal and structural transitions between bare and SnO2-coated AgNW networks.
Article
Chemistry, Multidisciplinary
Nathalia Cancino-Fuentes, Arnau Manasanch, Joana Covelo, Alex Suarez-Perez, Enrique Fernandez, Stratis Matsoukis, Christoph Guger, Xavi Illa, Anton Guimera-Brunet, Maria V. Sanchez-Vives
Summary: This study provides a comprehensive characterization of graphene-based solution-gated field-effect transistors (gSGFETs) for brain recordings, highlighting their potential clinical applications.
Article
Chemistry, Multidisciplinary
Sikandar Aftab, Hailiang Liu, Dhanasekaran Vikraman, Sajjad Hussain, Jungwon Kang, Abdullah A. Al-Kahtani
Summary: This study examines the effects of hybrid nanoparticles made of NiO@rGO and NiO@CNT on the active layers of polymer solar cells and X-ray photodetectors. The findings show that these hybrid nanoparticles can enhance the charge carrier capacities and exciton dissociation properties of the active layers. Among the tested configurations, the NiO@CNT device demonstrates superior performance in converting sunlight into electricity, and achieves the best sensitivity for X-ray detection.
Article
Chemistry, Multidisciplinary
Hyo Jung Shin, Seung Gyu Choi, Fengrui Qu, Min-Hee Yi, Choong-Hyun Lee, Sang Ryong Kim, Hyeong-Geug Kim, Jaewon Beom, Yoonyoung Yi, Do Kyung Kim, Eun-Hye Joe, Hee-Jung Song, Yonghyun Kim, Dong Woon Kim
Summary: This study investigates the role of SOX9 in reactive astrocytes following ischemic brain damage using a PLGA nanoparticle plasmid delivery system. The results demonstrate that PLGA nanoparticles can reduce ischemia-induced neurological deficits and infarct volume, providing a potential opportunity for stroke treatment.
Article
Chemistry, Multidisciplinary
Anurag Chaudhury, Koushik Debnath, Nikhil R. Jana, Jaydeep K. Basu
Summary: The study investigates the interaction between nanoparticles and cell membranes, and identifies key parameters, including charge, crowding, and membrane fluidity, that determine the adsorbed concentration and unbinding transition of nanoparticles.
Article
Chemistry, Multidisciplinary
Sina Sadeghi, Fazel Bateni, Taekhoon Kim, Dae Yong Son, Jeffrey A. Bennett, Negin Orouji, Venkat S. Punati, Christine Stark, Teagan D. Cerra, Rami Awad, Fernando Delgado-Licona, Jinge Xu, Nikolai Mukhin, Hannah Dickerson, Kristofer G. Reyes, Milad Abolhasani
Summary: In this study, an autonomous approach for the development of lead-free metal halide perovskite nanocrystals is presented, which integrates a modular microfluidic platform with machine learning-assisted synthesis modeling. This approach enables rapid and optimized synthesis of copper-based lead-free nanocrystals.
Article
Chemistry, Multidisciplinary
Zahir Abbas, Nissar Hussain, Surender Kumar, Shaikh M. Mobin
Summary: The rational construction of free-standing and flexible electrodes for electrochemical energy storage devices is an emerging research focus. In this study, a redox-active metal-organic framework (MOF) was prepared on carbon nanofibers using an in situ approach, resulting in a flexible electrode with high redox-active behavior and unique properties such as high flexibility and lightweight. The prepared electrode showed excellent cyclic retention and rate capability in supercapacitor applications. Additionally, it could be used as a freestanding electrode in flexible devices at different bending angles.
Article
Chemistry, Multidisciplinary
Lishan Zhang, Xiaoting Zhang, Hui Ran, Ze Chen, Yicheng Ye, Jiamiao Jiang, Ziwei Hu, Miral Azechi, Fei Peng, Hao Tian, Zhili Xu, Yingfeng Tu
Summary: Photodynamic therapy (PDT) is a promising local treatment modality in cancer therapy, but its therapeutic efficacy is restricted by ineffective delivery of photosensitizers and tumor hypoxia. In this study, a phototactic Chlorella-based near-infrared (NIR) driven green affording-oxygen microrobot system was developed for enhanced PDT. The system exhibited desirable phototaxis and continuous oxygen generation, leading to the inhibition of tumor growth in mice. This study demonstrates the potential of using a light-driven green affording-oxygen microrobot to enhance photodynamic therapy.
Article
Chemistry, Multidisciplinary
Yujin Li, Jing Xu, Xinqi Luo, Futing Wang, Zhong Dong, Ke-Jing Huang, Chengjie Hu, Mengyi Hou, Ren Cai
Summary: In this study, hollow heterostructured materials were constructed using an innovative template-engaged method as cathodes for zinc-ion batteries. The materials exhibited fast Zn2+ transport channels, improved electrical conductivity, and controlled volume expansion during cycling. The designed structure allowed for an admirable reversible capacity and high coulombic efficiency.
Article
Chemistry, Multidisciplinary
Paritosh Mahato, Shashi Shekhar, Rahul Yadav, Saptarshi Mukherjee
Summary: This study comprehensively elucidates the role of the core and electrostatic surface of metal nanoclusters in catalytic reduction reactions. The electrostatic surface dramatically modulates the reactivity of metal nanoclusters.
Article
Chemistry, Multidisciplinary
Pei Liu, Mengdi Liang, Zhengwei Liu, Haiyu Long, Han Cheng, Jiahe Su, Zhongbiao Tan, Xuewen He, Min Sun, Xiangqian Li, Shuai He
Summary: This study demonstrates a simple and environmentally-friendly method for the synthesis of zinc oxide nanozymes (ZnO NZs) using wasted hop extract (WHE). The WHE-ZnO NZs exhibit exceptional peroxidase-like activity and serve as effective catalysts for the oxidation of 3,3,5,5-tetramethylbenzidine (TMB) in the presence of hydrogen peroxide (H2O2). In addition, a straightforward colorimetric technique for detecting both H2O2 and glucose was developed using the WHE-ZnO NZs as peroxidase-like catalysts.
Article
Chemistry, Multidisciplinary
Hyunkyu Oh, Young Jun Lee, Eun Ji Kim, Jinseok Park, Hee-Eun Kim, Hyunsoo Lee, Hyunjoo Lee, Bumjoon J. Kim
Summary: Mesoporous carbon particles have unique structural properties that make them suitable as support materials for catalytic applications. This study investigates the impact of channel nanostructures on the catalytic activity of porous carbon particles (PCPs) by fabricating PCPs with controlled channel exposure on the carbon surface. The results show that PCPs with highly open channel nanostructures exhibit significantly higher catalytic activity compared to those with closed channel nanostructures.
Article
Chemistry, Multidisciplinary
Yunjie Lu, Zhaohui Li, Zewei Li, Shihao Zhou, Ning Zhang, Jianming Zhang, Lu Zong
Summary: A tough, long-lasting adhesive and highly conductive nanocomposite hydrogel (PACPH) was fabricated via the synergy of interfacial entanglement and adhesion group densification. PACPH possesses excellent mechanical properties, interfacial adhesion strength, and conductivity, making it a promising material for long-term monitoring of human activities and electrocardiogram signals.
Article
Chemistry, Multidisciplinary
Zichao Wei, Audrey Vandergriff, Chung-Hao Liu, Maham Liaqat, Mu-Ping Nieh, Yu Lei, Jie He
Summary: We have developed a simple method to prepare polymer-grafted plasmonic metal nanoparticles with pH-responsive surface-enhanced Raman scattering. By using pH-responsive polymers as ligands, the aggregation of nanoparticles can be controlled, leading to enhanced SERS. The pH-responsive polymer-grafted nanoparticles show high reproducibility and sensitivity in solution, providing a novel approach for SERS without the need for sample pre-concentration.
Article
Chemistry, Multidisciplinary
Melis Ozge Alas Colak, Ahmet Gungor, Merve Buldu Akturk, Emre Erdem, Rukan Genc
Summary: This research investigates the effect of functionalizing carbon dots with hydroxyl polymers on their performance as electrode materials in a supercapacitor. The results show that the functionalized carbon dots exhibit excellent electrochemical performance and improved stability.
