Article
Nanoscience & Nanotechnology
Corisa Kons, Kathryn L. Krycka, Joshua Robles, Nikolaos Ntallis, Manuel Pereiro, Manh-Huong Phan, Hariharan Srikanth, Julie A. Borchers, Dariio A. Arena
Summary: We study the spatial distribution of spin orientation in magnetic nanoparticles with hard and soft magnetic layers. The nanoparticles have a core-shell structure, with a CoFe2O4 (CFO) core and a Fe3O4 (FO) shell. The high-resolution electron microscopy confirms the coherent spinel structure across the core-shell boundary in both variants. Magnetometry shows that the nanoparticles are superparamagnetic at room temperature but develop anisotropy at reduced temperatures. Small-angle neutron scattering (SANS) reveals a pronounced difference in the reversal process of magnetization parallel to the field for the two nanoparticle variants. These findings highlight the interplay between interfacial exchange coupling and anisotropy in tuning the properties of the nanoparticles for potential applications.
ACS APPLIED NANO MATERIALS
(2023)
Article
Polymer Science
Supun S. Mohottalalage, Chathurika Kosgallana, Manjula Senanayake, Sidath Wijesinghe, Naresh C. Osti, Dvora Perahia
Summary: Ionizable groups on polymers enable various applications, but they also lead to the formation of rigid networks, limiting the dynamics of macromolecules. Studying the segmental dynamics of slightly sulfonated polystyrene in solutions, we found that the ionic assemblies act as centers of confinement, affecting both macroscopic dynamics and dynamics near the assemblies. The addition of ethanol changes the packing of ionizable groups and enhances chain dynamics.
Article
Chemistry, Physical
Aparna Swain, A. Nimmi Das, Victoria Garcia Sakai, J. K. Basu
Summary: We systematically studied the structural dynamics in bulk entropic polymer nanocomposites with deuterated-polymer-grafted nanoparticles using quasi-elastic neutron scattering. The relaxation dynamics depend on the entropic parameter f and the length scale being probed. The entropic parameter is defined in terms of the grafted-to-matrix polymer molecular weight ratio and controls the extent of matrix chain penetration into the graft.
Article
Nanoscience & Nanotechnology
Bhaskar Das, Joseph T. Batley, Kathryn L. Krycka, Julie A. Borchers, Patrick Quarterman, Caroline Korostynski, My Nguyen, Ishita Kamboj, Eray S. Aydil, Chris Leighton
Summary: Advances in the synthesis and characterization of colloidal magnetic nanoparticles have provided insights into their complex magnetic behavior and potential applications. This study focuses on the synthesis and characterization of Ni nanoparticles and reveals the presence of a non-ferromagnetic Ni phosphide shell. It also demonstrates bulk-like ferromagnetism in the Ni core and negligible interparticle magnetic interactions. These findings contribute to the understanding of synthesis-structure-property relationships in metallic magnetic nanoparticles and highlight the power of polarized SANS measurement and analysis in magnetic nanoparticle science and technology.
ACS APPLIED MATERIALS & INTERFACES
(2022)
Article
Polymer Science
Beatriz Robles-Hernandez, Marina Gonzalez-Burgos, Paula Malo de Molina, Isabel Asenjo-Sanz, Aurel Radulescu, Jose A. Pomposo, Arantxa Arbe, Juan Colmenero
Summary: The conformation of PMMA-based SCNPs and their linear precursors in DMF solution was studied using SANS. The RPA model accurately described the scattering profiles, revealing that the precursors and SCNPs were in good solvent conditions in dilute solutions, but became less soluble in crowded conditions.
Article
Chemistry, Physical
Eleonora Vottero, Michele Carosso, Alberto Ricchebuono, Monica Jimenez-Ruiz, Riccardo Pellegrini, Celine Chizallet, Pascal Raybaud, Elena Groppo, Andrea Piovano
Summary: This study investigates the properties of a highly dispersed Pt/Al2O3 catalyst for industrial hydrogenation and dehydrogenation reactions using inelastic neutron scattering (INS) spectroscopy and DFT simulation. The results show that the INS spectra provide a unique fingerprint of the Pt/Al2O3 model morphology, size, H-coverage, and typology of Pt-H species.
Article
Multidisciplinary Sciences
Kazuki Iida, Katsuaki Kodama, Yasuhiro Inamura, Mitsutaka Nakamura, Lieh-Jeng Chang, Shin-ichi Shamoto
Summary: In this study, the spin excitation of an ilmenite FeTiO3 powder sample is measured using time-of-flight inelastic neutron scattering. The dynamic magnetic pair-density function D-M(r, E) is obtained from the dynamic magnetic structure factor S-M(Q, E) by Fourier transformation. The real space spin dynamics exhibit magnon mode transitions in the spin-spin correlation with increasing energy, which is well reproduced by simulation using reciprocal space magnon dispersions. This analysis provides a novel opportunity to study the local spin dynamics of various magnetic systems.
SCIENTIFIC REPORTS
(2022)
Article
Physics, Multidisciplinary
S. E. Nikitin, B. Fak, K. W. Kraemer, T. Fennell, B. Normand, A. M. Laeuchli, Ch Rueegg
Summary: CrBr3 is an excellent realization of the two-dimensional honeycomb ferromagnet, offering a bosonic equivalent of graphene with Dirac magnons and topological character. In this study, inelastic neutron scattering measurements were performed to update previous data and provide a definitive comparison with recent experimental claims and theoretical predictions. The results demonstrate the characteristics of CrBr3, such as ideal Dirac magnon dispersion and isospin winding, but also highlight the need for more sophisticated theoretical analysis.
PHYSICAL REVIEW LETTERS
(2022)
Article
Chemistry, Multidisciplinary
Xin Zhang, Jinxu Zhang, Hua Yang, Chunyong He, Yubin Ke, Seema Singh, Gang Cheng
Summary: This study extracted lignins from different plants to establish a general pattern of their structure in several solvents. Small-angle neutron scattering was used to observe lignin molecules and aggregates. The study obtained important factors affecting the uses of LNPs from SANS data for the first time, and discovered a large hydration shell around LNPs in aqueous solutions.
Article
Polymer Science
Hacer Yalcinkaya, Gaetano Mangiapia, Marie-Sousai Appavou, Ingo Hoffmann, Michael Gradzielski
Summary: This article describes the formation of highly monodisperse and small polymeric nanocapsules from a well-defined self-assembled surfactant-based system. By dissolving a monomer in surfactant micelles and mixing with a second surfactant solution, the vesicles transform into polymerized nanocapsules. The resulting nanocapsules are small, highly monodisperse, and can be used to entrap cargo in either the aqueous core or hydrophobic membrane.
Article
Chemistry, Physical
Debasish Saha, Sugam Kumar, Jitendra P. Mata, Andrew E. Whitten, Vinod K. Aswal
Summary: Small-angle neutron scattering (SANS) and dynamic light scattering (DLS) experiments were conducted to study the competitive effects of NaCl and sodium dodecyl sulfate (SDS) on the structure and interactions in a silica nanoparticle-Bovine serum albumin (BSA) protein system. It was found that the addition of a small amount of salt induced immediate aggregation of the nanoparticles, which was dominated by the BSA-induced depletion attraction. Interestingly, the presence of SDS suppressed nanoparticle aggregation for low salt concentrations, but clustering of nanoparticles still occurred at higher salt concentrations. The interplay of depletion and electrostatic and hydrophobic interactions was utilized to tune the structures formed in the silica nanoparticle-BSA-SDS/NaCl system.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2023)
Article
Polymer Science
Mohammed Alaboalirat, Samantha J. Scannelli, Hadi Rahmaninejad, Jan-Michael Carrillo, Changwoo Do, John B. Matson, Rana Ashkar
Summary: Bottlebrush polymers are a unique class of macromolecular architectures with diverse applications that depend on their shape and size. This study systematically analyzed the structural and conformational properties of bottlebrush polymers using experimental and computational methods, providing key parameters and validating mean field theories.
Article
Chemistry, Physical
Tallyson S. Alvarenga, Ivon O. Polo, Walsan W. Pereira, Michael R. Mayhugh, Linda V. E. Caldas
Summary: With the increasing use of neutron radiation techniques, the calibration of neutron detectors has become crucial. Neutron scattering, which varies depending on the laboratory setup, can lead to systematic errors in the calibration process. Different methods, such as the SEM, RFM, SCM, and GFM, can be used to correct these effects.
RADIATION PHYSICS AND CHEMISTRY
(2021)
Article
Chemistry, Physical
Xinyi Liu, Shao-Chun Lee, Soenke Seifert, Lilin He, Changwoo Do, Randall E. Winans, Gihan Kwon, Tao Li
Summary: The relation between solvation structures and transport properties of LiTFSI aqueous solutions was investigated using small-angle X-ray scattering, small-angle neutron scattering, X-ray pair distribution function measurements, and molecular dynamics simulations. It was found that solvation structures of TFSI- consist of solvent separated ion pairs and contact ion pairs, as well as cation-anion aggregates. The relaxation time associated with the anion network structure exhibited the same concentration dependence as the viscosity. This study provides insight into the correlation between solvation structures and transport properties of imide-based lithium-ion salt aqueous electrolytes.
CHEMISTRY OF MATERIALS
(2023)
Article
Physics, Multidisciplinary
Shang Gao, Ganesh Pokharel, Andrew F. May, Joseph A. M. Paddison, Chris Pasco, Yaohua Liu, Keith M. Taddei, Stuart Calder, David G. Mandrus, Matthew B. Stone, Andrew D. Christianson
Summary: This study uses spectral graph theory to approximate spiral spin liquids on a bipartite lattice and broadens the range of candidate materials that may support spiral spin liquid phases. Neutron scattering experiments on two compounds demonstrate the feasibility of this new approach and reveal potential limitations in experimental realizations.
PHYSICAL REVIEW LETTERS
(2022)
Article
Chemistry, Physical
V. K. Sharma, D. G. Hayes, V. S. Urban, H. O'Neill, M. Tyagi, E. Mamontov
Summary: Bicontinuous microemulsions (BμEs) are a promising system for studying the behavior of antimicrobial peptides (AMPs). The addition of melittin affects the nanoscopic dynamics of BμEs, restricting lateral and internal motion and acting as a stiffening agent. At low concentrations, melittin has a stronger impact on lateral motion, while at higher concentrations, the lateral diffusion coefficient approaches a constant value. These findings suggest that melittin modulates dynamics differently depending on the spatial and temporal regimes being probed.
JOURNAL OF COLLOID AND INTERFACE SCIENCE
(2021)
Article
Chemistry, Multidisciplinary
Xingxing Yao, Blake Avery, Miljko Bobrek, Lisa Debeer-Schmitt, Xiaosong Geng, Ray Gregory, Greg Guyotte, Mike Harrington, Steven Hartman, Lilin He, Luke Heroux, Kay Kasemir, Rob Knudson, James Kohl, Carl Lionberger, Kenneth Littrell, Matthew Pearson, Sai Venkatesh Pingali, Cody Pratt, Shuo Qian, Mariano Ruiz-Rodriguez, Vladislav Sedov, Gary Taufer, Volker Urban, Klemen Vodopivec
Summary: The research team designed and developed a new instrument control and data acquisition system based on in-depth analysis of user needs and principles of user experience and design. The system features a Q-Range Planner, different user operation interfaces, and automatic data reduction capabilities to assist scientists and users in efficient instrument utilization.
APPLIED SCIENCES-BASEL
(2021)
Article
Chemistry, Applied
Yue Yuan, Hui Li, Wellington Leite, Qiu Zhang, Peter Bonnesen, Jessy L. Labbe, Kevin L. Weiss, Sai Venkatesh Pingali, Kunlun Hong, Volker S. Urban, Sonja Salmon, Hugh O'Neill
Summary: Deuterated chitosan was produced using deuterated glucose, with NMR and SANS analysis revealing its structure and chemical composition. This highly deuterated chitosan can be used as a model material for studying chitosan-enzyme complexes in neutron scattering studies.
CARBOHYDRATE POLYMERS
(2021)
Article
Chemistry, Applied
Douglas G. Hayes, Divina B. Anunciado, Ran Ye, Rachel N. D. Williams, Hugh M. O'Neill, Sai Venkatesh Pingali, Volker S. Urban
Summary: In this study, membrane proteins alpha-synuclein and bacteriorhodopsin were successfully encapsulated in bicontinuous microemulsions formed by two different microemulsion systems. The dissolution of alpha-synuclein in bicontinuous microemulsions greatly increased its alpha-helicity, while bacteriorhodopsin showed similar secondary structure in bicontinuous microemulsions and vesicles. Small-angle neutron scattering results demonstrated a direct interaction between the membrane proteins and the surfactants, leading to changes in the efficiency of the surfactant monolayers. The study highlights the potential use of bicontinuous microemulsions as host systems for membrane proteins in biochemical reactions and for studying their fundamental behavior.
JOURNAL OF SURFACTANTS AND DETERGENTS
(2021)
Review
Chemistry, Multidisciplinary
Volker S. Urban, William T. Heller, John Katsaras, Wim Bras
Summary: This article discusses the development of time-resolved neutron scattering experiments on soft condensed matter and biomaterials, highlighting the need for further advancements in sample environments and technique combinations to fully utilize existing facilities and future high intensity neutron sources.
APPLIED SCIENCES-BASEL
(2021)
Article
Chemistry, Multidisciplinary
Stacy M. Copp, Ryan L. Hamblin, Kirstie Swingle, Durgesh Rai, Volker S. Urban, Sergei A. Ivanov, Gabriel A. Montano
Summary: Amphiphilic block copolymers with weak polyelectrolyte blocks can assemble stimulus-responsive nanostructures and interfaces. This study investigates whether the pH-driven morphological response of polyelectrolyte-bearing nanostructures also affects the interactions of these nanostructures with molecules in solution, using a micelle model system. The study finds that the FRET efficiency exhibits complex nonmonotonic behavior as a function of pH, indicating that the average separation of micelles and acceptor fluorophores is not strictly correlated with micelle swelling.
Article
Chemistry, Multidisciplinary
Zhi Yang, Marcus B. Foston, Hugh O'Neill, Volker S. Urban, Arthur Ragauskas, Barbara R. Evans, Brian H. Davison, Sai Venkatesh Pingali
Summary: Different thermochemical pretreatments have been developed and employed to enhance the efficiency of second-generation bioethanol production from lignocellulosic biomass. The structural evolution of noncellulosic switchgrass polymers during dilute acid pretreatment was studied using in-situ small-angle neutron scattering (in-situ SANS), revealing the formation of aggregate particles derived from hemicellulose and lignin. The results suggest that both lignin and hemicellulose can form aggregate particles within plant cell walls during pretreatment.
ACS SUSTAINABLE CHEMISTRY & ENGINEERING
(2022)
Article
Computer Science, Software Engineering
William T. Heller, John Hetrick, Jean Bilheux, Jose M. Borreguero Calvo, Wei-Ren Chen, Lisa DeBeer-Schmitt, Changwoo Do, Mathieu Doucet, Michael R. Fitzsimmons, William F. Godoy, Garrett E. Granroth, Steven Hahn, Lilin He, Fahima Islam, Jiao Lin, Kenneth C. Littrell, Marshall McDonnell, Jesse McGaha, Peter F. Peterson, Sai Venkatesh Pingali, Shuo Qian, Andrei T. Savici, Yingrui Shang, Christopher B. Stanley, Volker S. Urban, Ross E. Whitfield, Chen Zhang, Wenduo Zhou, Jay Jay Billings, Matthew J. Cuneo, Ricardo M. Ferraz Leal, Tianhao Wang, Bin Wu
Summary: This article describes the drtsans software package developed at Oak Ridge National Laboratory for data reduction in small-angle neutron scattering experiments. The software has positively impacted the scientific programs on the EQ-SANS, GP-SANS, and Bio-SANS instruments.
Article
Chemistry, Physical
Volker S. Urban, Raquel L. Lieberman, Wellington C. Leite, Yuqi Wu, Sai Venkatesh Pingali
Summary: This study investigates the impact of the single chain detergent DDM on the morphology of bicelles. DDM is able to reshape the bicelles at different temperatures, which is crucial for understanding lipid membrane self-organization and optimizing lipid mimics in membrane biology research.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2022)
Article
Biochemistry & Molecular Biology
Viswanathan Gurumoorthy, Utsab R. Shrestha, Qiu Zhang, Sai Venkatesh Pingali, Eric T. Boder, Volker S. Urban, Jeremy C. Smith, Loukas Petridis, Hugh O'Neill
Summary: c-Src kinase is a non-receptor tyrosine kinase that phosphorylates signaling proteins in cancers. This study focuses on the N-terminal disordered region (SH4UD) and its interactions with other domains of c-Src kinase. The results show that the presence of SH4UD leads to structural changes in the regulatory domains (SH3-SH2), indicating the importance of the disordered region for allosteric interactions. This study provides insights that may aid in the development of therapeutic interventions targeting the regulatory domains of c-Src kinase.
Article
Chemistry, Applied
Madison A. A. Oehler, Douglas G. G. Hayes, Doris H. H. D'Souza, Manjula Senanayake, Viswanathan Gurumoorthy, Sai Venkatesh Pingali, Hugh M. M. O'Neill, Wim Bras, Volker S. S. Urban
Summary: The study demonstrates that the antimicrobial peptide melittin can be solubilized in an active form in bicontinuous microemulsions. Melittin interacts with the surfactant and affects the structure of the microemulsion. Incorporating melittin enhances the antimicrobial activity of the microemulsion against bacteria.
JOURNAL OF SURFACTANTS AND DETERGENTS
(2023)
Meeting Abstract
Biophysics
Viswanathan Gurumoorthy, Utsab Shrestha, Sai Venkatesh Pingali, Jeremy C. Smith, Volker Urban, Loukas Petridis, Hugh M. O'Neill
BIOPHYSICAL JOURNAL
(2022)
Meeting Abstract
Chemistry, Multidisciplinary
Sai Venkatesh Pingali, Volker Urban, Hugh O'Neill, Douglas Hayes
ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES
(2021)
Meeting Abstract
Chemistry, Multidisciplinary
V. Urban
ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES
(2021)
Article
Chemistry, Physical
Yiming Yang, Veronika Kozlovskaya, Maksim Dolmat, Yin Song, Shuo Qian, Volker S. Urban, Donald Cropek, Eugenia Kharlampieva
Summary: This study presents a simple method for synthesizing temperature-responsive giant vesicles and discusses the transformation of these vesicles into smaller ones at 42 degrees Celsius, which can be suppressed by material substitution or hydrogen bonding. These findings have potential applications in cell mimicking studies and therapeutic drug delivery.
APPLIED SURFACE SCIENCE ADVANCES
(2021)
Article
Polymer Science
Yuanzhang Jiang, Xuyi Wang, Yanting Han, Dakai Gong, Yingchun Gu, Lin Tan
Summary: In this study, FeCl3 and poly(acrylic acid) (PAA) were doped into waterborne polyurethanes (WPUs) to create multifunctional materials with self-healing and antimicrobial properties. WPU/Fe/PAA-5.5, containing 5.5 wt % PAA, exhibited excellent mechanical properties, strong self-healing capabilities, and an impressive antimicrobial rate of over 90%. These supramolecular films were also highly recyclable through hot-pressing.
Article
Polymer Science
Longyu Tian, Min Wang, Guangming Liao, Baoliang Liu, Sujuan Zhang, Yucheng Sun, Zhen Meng, Jintao Zhang, Zaijun Lu
Summary: Two kinds of benzoxazine monomers were synthesized and used to prepare polybenzoxazine anion exchange membranes (AEMs) with quaternary ammonium functionalization. The LQPBZ AEM exhibited better ion conductivity and alkaline stability.
Article
Polymer Science
Claire A. Lemarchand
Summary: This study investigates the shock behavior of three different polymers through molecular dynamics simulations. The results reveal specificities in the shock behavior of polymers, including deviations from the linear relation between shock velocity and particle velocity, as well as differences in shear stress relaxation behind the shock front. It is found that the deviation of the Hugoniot locus is related to the change in the relative contribution of bonding and non-bonding potential energies, while polymers with higher glass transition temperatures exhibit slower shear stress relaxation.
Article
Polymer Science
Zengquan Liu, Xiaochun Yin, He Zhang, Shuo Gao, Qinglin Kuang, Yanhong Feng
Summary: A powder solid-state extension (PSSE) technology was proposed to address the high melt viscosity issue of UHMWPE. By uniaxial extension and sintering in the solid state, a highly self-reinforced material was prepared. X-ray diffraction and scattering techniques were used to study the structural evolution during the PSSE process, and a solid-phase induced transformation model was established.
Article
Polymer Science
Zhike Li, Anyu Luo, Rui Zhou, Xin Li, Haiyan Li
Summary: A novel high temperature resistance IL@SiO2 nanocapsules were successfully prepared and their friction and wear properties in PA6 composites were studied. The addition of IL@SiO2 nanocapsules reduced the friction coefficient and wear rate without affecting the mechanical properties of PA6. The synergy between the IL core and SiO2 wall in the nanocapsules improved the self-lubricating performance of the PA6 composites.
Article
Polymer Science
Xin Liu, Xuhong Guo, Qi Liao
Summary: In this study, an algorithm for accurately estimating viscosity is developed using molecular dynamics simulations and the Green-Kubo formula. This algorithm can be applied to complex systems with long correlations, such as macromolecular and biological simulation systems.
Article
Polymer Science
Hao Pu, Yun-Lei Hou, Jing -Zhou Chen, Dong -Lin Zhao
Summary: The use of modified graphene improves the interfacial adherence of carbon fibers to epoxy resin, resulting in enhanced interfacial and bending properties of CF and matrix in CF/EP composites, as well as increased interlaminar shear strength and flexural strength.
Article
Polymer Science
Wei-Chung Ke, Jin-Wei Lin, Manohar Reddy Busireddy, Yueh-Hsing Lee, Jiun-Tai Chen, Chain-Shu Hsu
Summary: This study introduces a crosslinkable monomer, TAIC, to synthesize three crosslinked polyimide films, which exhibit improved thermal, mechanical, and dielectric properties. The introduction of TAIC enhances the tensile strength, reduces the dielectric constant and dielectric loss, and decreases the coefficient of thermal expansion of the polyimide films.
Article
Polymer Science
Alex Kwasi Kumi, Ruiling Fan, Ye Chen, Yumei Zhang
Summary: The difference in leaching of amylopectin from cellulose/amylopectin/1-butyl-3-methylimidazolium chloride ([Bmim][Cl]) blends during regeneration in water and aqueous ethanol has been studied. Molecular dynamics simulations showed that the dissolution and regeneration mechanisms of amylopectin in [Bmim][Cl] are similar to cellulose in ionic liquids. Water regeneration leads to weak electrostatic interactions, resulting in high leaching of amylopectin. In contrast, ethanol-water interactions enhance electrostatic interactions among amylopectin chains, limiting amylopectin leaching in aqueous ethanol.
Article
Polymer Science
Xi Zeng, Junwei Zhou, Junbiao Peng, Chunsheng Zhang, Danling Wang, Yihu Song, Qiang Zheng
Summary: This study utilizes an oligomer deep eutectic solvent (DES) based on polyethylene glycol to regulate the vulcanization kinetics of rubber. The results show that the DES can accelerate vulcanization at low temperatures without affecting the crosslinking density and Mullins effect.
Article
Polymer Science
Qianqian Yue, Yongfei Peng, Xingjian Liu, Aihua He, Huarong Nie
Summary: The addition of metal deactivators can effectively suppress the aging of TBIR, prolong its lifespan, and have no negative effects on its physical and processing properties. These research findings are of great importance for improving the stability and aging resistance of polymers.
Article
Polymer Science
J. Gomez-Caturla, J. Ivorra-Martinez, R. Tejada-Oliveros, V Moreno, D. Garcia-Garcia, R. Balart
Summary: This work focuses on the development of environmentally friendly PLA formulations by using different esters derived from geraniol as plasticizers. The results show that these esters have good compatibility with PLA, and they can effectively enhance the elongation and plasticity of PLA, reduce its glass transition temperature, and slightly improve its water absorption capabilities.
Article
Polymer Science
Dandan Li, Zhaohui Lu, Zhao Ke, Ke Xu, Fengna Dai, Youhai Yu, Guangtao Qian, Chunhai Chen
Summary: In this study, cross-linked PI aerogel membranes with low dielectric constant and high moisture resistance were prepared by co-polymerization and scraping coating technology. The incorporation of fluorinated blocks and benzimidazole ring structures resulted in novel PI aerogel membranes with fascinating dielectric properties and outstanding moisture resistance.
Article
Polymer Science
Zhaoyang Chu, Qing Zhang, Haihua Luo, Han Zhou, Fapei Zhang, Wei Chen, Wenhua Zhang
Summary: Multi-physical fields solution processing strategy is a universal and facile method for preparing various conjugated polymer films and high-performance devices. In this study, we employed a combined microfluidic flow and ultrasonication strategy (FU) for processing CP solutions, and found a pronounced synergetic effect in promoting the pre-ordering of chains in solution. The conformation order and anisotropy of the solution were revealed through various characterizations. A non-classical nucleation model for polymer crystallization in non-equilibrium solution processing was confirmed. The roles of microfluidic flow and ultrasonication in chain aggregation and crystallization were addressed through multi-physical simulations. Compared to pristine solutions, the FU strategy showed improved solution anisotropy and crystallization kinetics, resulting in higher crystallinity in films and increased mobilities in OFET devices. The FU processing strategy provides a universal approach for regulating chain conformation and aggregation in conjugated polymer solutions.
