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Item Persistent flat band splitting and strong selective band renormalization in a kagome magnet thin film(Springer Nature, 2024) Ren, Zheng; Huang, Jianwei; Tan, Hengxin; Biswas, Ananya; Pulkkinen, Aki; Zhang, Yichen; Xie, Yaofeng; Yue, Ziqin; Chen, Lei; Xie, Fang; Allen, Kevin; Wu, Han; Ren, Qirui; Rajapitamahuni, Anil; Kundu, Asish K.; Vescovo, Elio; Kono, Junichiro; Morosan, Emilia; Dai, Pengcheng; Zhu, Jian-Xin; Si, Qimiao; Minár, Ján; Yan, Binghai; Yi, Ming; Smalley-Curl InstituteMagnetic kagome materials provide a fascinating playground for exploring the interplay of magnetism, correlation and topology. Many magnetic kagome systems have been reported including the binary FemXn (X = Sn, Ge; m:n = 3:1, 3:2, 1:1) family and the rare earth RMn6Sn6 (R = rare earth) family, where their kagome flat bands are calculated to be near the Fermi level in the paramagnetic phase. While partially filling a kagome flat band is predicted to give rise to a Stoner-type ferromagnetism, experimental visualization of the magnetic splitting across the ordering temperature has not been reported for any of these systems due to the high ordering temperatures, hence leaving the nature of magnetism in kagome magnets an open question. Here, we probe the electronic structure with angle-resolved photoemission spectroscopy in a kagome magnet thin film FeSn synthesized using molecular beam epitaxy. We identify the exchange-split kagome flat bands, whose splitting persists above the magnetic ordering temperature, indicative of a local moment picture. Such local moments in the presence of the topological flat band are consistent with the compact molecular orbitals predicted in theory. We further observe a large spin-orbital selective band renormalization in the Fe $${{{{\rm{d}}}}}_{{xy}}+{{{{\rm{d}}}}}_{{x}^{2}-{y}^{2}}$$spin majority channel reminiscent of the orbital selective correlation effects in the iron-based superconductors. Our discovery of the coexistence of local moments with topological flat bands in a kagome system echoes similar findings in magic-angle twisted bilayer graphene, and provides a basis for theoretical effort towards modeling correlation effects in magnetic flat band systems.Item Persistent tailoring of MSC activation through genetic priming(Elsevier, 2024) Beauregard, Michael A.; Bedford, Guy C.; Brenner, Daniel A.; Sanchez Solis, Leonardo D.; Nishiguchi, Tomoki; Abhimanyu; Longlax, Santiago Carrero; Mahata, Barun; Veiseh, Omid; Wenzel, Pamela L.; DiNardo, Andrew R.; Hilton, Isaac B.; Diehl, Michael R.Mesenchymal stem/stromal cells (MSCs) are an attractive platform for cell therapy due to their safety profile and unique ability to secrete broad arrays of immunomodulatory and regenerative molecules. Yet, MSCs are well known to require preconditioning or priming to boost their therapeutic efficacy. Current priming methods offer limited control over MSC activation, yield transient effects, and often induce the expression of pro-inflammatory effectors that can potentiate immunogenicity. Here, we describe a genetic priming method that can both selectively and sustainably boost MSC potency via the controlled expression of the inflammatory-stimulus-responsive transcription factor interferon response factor 1 (IRF1). MSCs engineered to hyper-express IRF1 recapitulate many core responses that are accessed by biochemical priming using the proinflammatory cytokine interferon-γ (IFN-γ). This includes the upregulation of anti-inflammatory effector molecules and the potentiation of MSC capacities to suppress T cell activation. However, we show that IRF1-mediated genetic priming is much more persistent than biochemical priming and can circumvent IFN-γ-dependent expression of immunogenic MHC class II molecules. Together, the ability to sustainably activate and selectively tailor MSC priming responses creates the possibility of programming MSC activation more comprehensively for therapeutic applications.Item Theoretical study of adsorption properties and CO oxidation reaction on surfaces of higher tungsten boride(Springer Nature, 2024) Radina, Aleksandra D.; Baidyshev, Viktor S.; Chepkasov, Ilya V.; Matsokin, Nikita A.; Altalhi, Tariq; Yakobson, Boris I.; Kvashnin, Alexander G.Most modern catalysts are based on precious metals and rear-earth elements, making some of organic synthesis reactions economically insolvent. Density functional theory calculations are used here to describe several differently oriented surfaces of the higher tungsten boride WB5-x, together with their catalytic activity for the CO oxidation reaction. Based on our findings, WB5-x appears to be an efficient alternative catalyst for CO oxidation. Calculated surface energies allow the use of the Wulff construction to determine the equilibrium shape of WB5-x particles. It is found that the (010) and (101) facets terminated by boron and tungsten, respectively, are the most exposed surfaces for which the adsorption of different gaseous agents (CO, CO2, H2, N2, O2, NO, NO2, H2O, NH3, SO2) is evaluated to reveal promising prospects for applications. CO oxidation on B-rich (010) and W-rich (101) surfaces is further investigated by analyzing the charge redistribution during the adsorption of CO and O2 molecules. It is found that CO oxidation has relatively low energy barriers. The implications of the present results, the effects of WB5-x on CO oxidation and potential application in the automotive, chemical, and mining industries are discussed.Item The physical and evolutionary energy landscapes of devolved protein sequences corresponding to pseudogenes(National Academy of Sciences, 2024) Jaafari, Hana; Bueno, Carlos; Schafer, Nicholas P.; Martin, Jonathan; Morcos, Faruck; Wolynes, Peter G.; Center for Theoretical BiophysicsProtein evolution is guided by structural, functional, and dynamical constraints ensuring organismal viability. Pseudogenes are genomic sequences identified in many eukaryotes that lack translational activity due to sequence degradation and thus over time have undergone “devolution.” Previously pseudogenized genes sometimes regain their protein-coding function, suggesting they may still encode robust folding energy landscapes despite multiple mutations. We study both the physical folding landscapes of protein sequences corresponding to human pseudogenes using the Associative Memory, Water Mediated, Structure and Energy Model, and the evolutionary energy landscapes obtained using direct coupling analysis (DCA) on their parent protein families. We found that generally mutations that have occurred in pseudogene sequences have disrupted their native global network of stabilizing residue interactions, making it harder for them to fold if they were translated. In some cases, however, energetic frustration has apparently decreased when the functional constraints were removed. We analyzed this unexpected situation for Cyclophilin A, Profilin-1, and Small Ubiquitin-like Modifier 2 Protein. Our analysis reveals that when such mutations in the pseudogene ultimately stabilize folding, at the same time, they likely alter the pseudogenes’ former biological activity, as estimated by DCA. We localize most of these stabilizing mutations generally to normally frustrated regions required for binding to other partners.Item Preserving surface strain in nanocatalysts via morphology control(AAAS, 2024) Shi, Chuqiao; Cheng, Zhihua; Leonardi, Alberto; Yang, Yao; Engel, Michael; Jones, Matthew R.; Han, YimoEngineering strain critically affects the properties of materials and has extensive applications in semiconductors and quantum systems. However, the deployment of strain-engineered nanocatalysts faces challenges, in particular in maintaining highly strained nanocrystals under reaction conditions. Here, we introduce a morphology-dependent effect that stabilizes surface strain even under harsh reaction conditions. Using four-dimensional scanning transmission electron microscopy (4D-STEM), we found that cube-shaped core-shell Au@Pd nanoparticles with sharp-edged morphologies sustain coherent heteroepitaxial interfaces with larger critical thicknesses than morphologies with rounded edges. This configuration inhibits dislocation nucleation due to reduced shear stress at corners, as indicated by molecular dynamics simulations. A Suzuki-type cross-coupling reaction shows that our approach achieves a fourfold increase in activity over conventional nanocatalysts, owing to the enhanced stability of surface strain. These findings contribute to advancing the development of advanced nanocatalysts and indicate broader applications for strain engineering in various fields.Item Adsorption of aqueous insensitive munitions compounds by graphene nanoplatelets(Elsevier, 2024) Gurtowski, Luke A.; McLeod, Sheila J.; Zetterholm, Sarah Grace; Allison, Cleveland D.; Griggs, Chris S.; Gramm, Josh; Wyss, Kevin; Tour, James M.; Sanchez, Florence; Rice Advanced Materials Institute; Smalley-Curl InstituteMitigation strategies for potential environmental impacts of insensitive munition (IM) compounds, including 2,4-dinitroanisole (DNAN), 3-nitro-1,2,4-triazol-5-one (NTO), nitroguanidine (NQ), and methylnitroguanidine, (MeNQ) are being considered to enhance sustainability of current or potential IM formulations. Graphene nanoplatelets (GnPs) were investigated for adsorptive removal of each compound. GnPs were characterized to determine surface areas, along with particle size and zeta potential at different pH and ionic strength conditions. Adsorption kinetics and isotherm studies were conducted, comparing results against granular activated carbon (GAC). Ionic strength, pH, and temperature were adjusted to inform impacts on adsorptive behaviors and performance. The results indicated that GnPs adsorbed IM compounds more rapidly than GAC. Additionally, GnPs removed DNAN with greater capacity compared to GAC, likely due to π-π interactions. GnPs removed other compounds via van der Waals forces, while GAC exhibited greater adsorption capacities due to higher surface area. Although negative charges associated with GnPs and dissociated NTO species hindered adsorption, pH and ionic strength did not impact other compounds. Moreover, this study reports the first environmental treatment technique for MeNQ. Overall, these findings suggest that GnPs are a promising treatment technology for IM-laden waters, particularly those with compounds like DNAN where specific interactions enhance removal efficiency.Item Accurate nuclear quantum statistics on machine-learned classical effective potentials(AIP Publishing, 2024) Zaporozhets, Iryna; Musil, Félix; Kapil, Venkat; Clementi, Cecilia; Center for Theoretical Biological PhysicsThe contribution of nuclear quantum effects (NQEs) to the properties of various hydrogen-bound systems, including biomolecules, is increasingly recognized. Despite the development of many acceleration techniques, the computational overhead of incorporating NQEs in complex systems is sizable, particularly at low temperatures. In this work, we leverage deep learning and multiscale coarse-graining techniques to mitigate the computational burden of path integral molecular dynamics (PIMD). In particular, we employ a machine-learned potential to accurately represent corrections to classical potentials, thereby significantly reducing the computational cost of simulating NQEs. We validate our approach using four distinct systems: Morse potential, Zundel cation, single water molecule, and bulk water. Our framework allows us to accurately compute position-dependent static properties, as demonstrated by the excellent agreement obtained between the machine-learned potential and computationally intensive PIMD calculations, even in the presence of strong NQEs. This approach opens the way to the development of transferable machine-learned potentials capable of accurately reproducing NQEs in a wide range of molecular systems.Item Superhard and Superconducting Bilayer Borophene(MDPI, 2024) Zhong, Chengyong; Sun, Minglei; Altalhi, Tariq; Yakobson, Boris I.Two-dimensional superconductors, especially the covalent metals such as borophene, have received significant attention due to their new fundamental physics, as well as potential applications. Furthermore, the bilayer borophene has recently ignited interest due to its high stability and versatile properties. Here, the mechanical and superconducting properties of bilayer-δ6 borophene are explored by means of first-principles computations and anisotropic Migdal–Eliashberg analytics. We find that the coexistence of strong covalent bonds and delocalized metallic bonds endows this structure with remarkable mechanical properties (maximum 2D-Young’s modulus of ~570 N/m) and superconductivity with a critical temperature of ~20 K. Moreover, the superconducting critical temperature of this structure can be further boosted to ~46 K by applied strain, which is the highest value known among all borophenes or two-dimensional elemental materials.Item Spin disorder control of topological spin texture(Springer Nature, 2024) Zhang, Hongrui; Shao, Yu-Tsun; Chen, Xiang; Zhang, Binhua; Wang, Tianye; Meng, Fanhao; Xu, Kun; Meisenheimer, Peter; Chen, Xianzhe; Huang, Xiaoxi; Behera, Piush; Husain, Sajid; Zhu, Tiancong; Pan, Hao; Jia, Yanli; Settineri, Nick; Giles-Donovan, Nathan; He, Zehao; Scholl, Andreas; N’Diaye, Alpha; Shafer, Padraic; Raja, Archana; Xu, Changsong; Martin, Lane W.; Crommie, Michael F.; Yao, Jie; Qiu, Ziqiang; Majumdar, Arun; Bellaiche, Laurent; Muller, David A.; Birgeneau, Robert J.; Ramesh, Ramamoorthy; Rice Advanced Materials InstituteStabilization of topological spin textures in layered magnets has the potential to drive the development of advanced low-dimensional spintronics devices. However, achieving reliable and flexible manipulation of the topological spin textures beyond skyrmion in a two-dimensional magnet system remains challenging. Here, we demonstrate the introduction of magnetic iron atoms between the van der Waals gap of a layered magnet, Fe3GaTe2, to modify local anisotropic magnetic interactions. Consequently, we present direct observations of the order-disorder skyrmion lattices transition. In addition, non-trivial topological solitons, such as skyrmioniums and skyrmion bags, are realized at room temperature. Our work highlights the influence of random spin control of non-trivial topological spin textures.Item RACER-m leverages structural features for sparse T cell specificity prediction(AAAS, 2024) Wang, Ailun; Lin, Xingcheng; Chau, Kevin Ng; Onuchic, José N.; Levine, Herbert; George, Jason T.; Center for Theoretical Biological PhysicsReliable prediction of T cell specificity against antigenic signatures is a formidable task, complicated by the immense diversity of T cell receptor and antigen sequence space and the resulting limited availability of training sets for inferential models. Recent modeling efforts have demonstrated the advantage of incorporating structural information to overcome the need for extensive training sequence data, yet disentangling the heterogeneous TCR-antigen interface to accurately predict MHC-allele-restricted TCR-peptide interactions has remained challenging. Here, we present RACER-m, a coarse-grained structural model leveraging key biophysical information from the diversity of publicly available TCR-antigen crystal structures. Explicit inclusion of structural content substantially reduces the required number of training examples and maintains reliable predictions of TCR-recognition specificity and sensitivity across diverse biological contexts. Our model capably identifies biophysically meaningful point-mutant peptides that affect binding affinity, distinguishing its ability in predicting TCR specificity of point-mutants from alternative sequence-based methods. Its application is broadly applicable to studies involving both closely related and structurally diverse TCR-peptide pairs.Item Reassessing the exon–foldon correspondence using frustration analysis(National Academy of Sciences, 2024) Galpern, Ezequiel A.; Jaafari, Hana; Bueno, Carlos; Wolynes, Peter G.; Ferreiro, Diego U.; Center for Theoretical Biological PhysicsProtein folding and evolution are intimately linked phenomena. Here, we revisit the concept of exons as potential protein folding modules across a set of 38 abundant and conserved protein families. Taking advantage of genomic exon–intron organization and extensive protein sequence data, we explore exon boundary conservation and assess the foldon-like behavior of exons using energy landscape theoretic measurements. We found deviations in the exon size distribution from exponential decay indicating selection in evolution. We show that when taken together there is a pronounced tendency to independent foldability for segments corresponding to the more conserved exons, supporting the idea of exon–foldon correspondence. While 45% of the families follow this general trend when analyzed individually, there are some families for which other stronger functional determinants, such as preserving frustrated active sites, may be acting. We further develop a systematic partitioning of protein domains using exon boundary hotspots, showing that minimal common exons correspond with uninterrupted alpha and/or beta elements for the majority of the families but not for all of them.Item Quantum simulation of an extended Dicke model with a magnetic solid(Springer Nature, 2024) Marquez Peraca, Nicolas; Li, Xinwei; Moya, Jaime M.; Hayashida, Kenji; Kim, Dasom; Ma, Xiaoxuan; Neubauer, Kelly J.; Fallas Padilla, Diego; Huang, Chien-Lung; Dai, Pengcheng; Nevidomskyy, Andriy H.; Pu, Han; Morosan, Emilia; Cao, Shixun; Bamba, Motoaki; Kono, JunichiroThe Dicke model describes the cooperative interaction of an ensemble of two-level atoms with a single-mode photonic field and exhibits a quantum phase transition as a function of light–matter coupling strength. Extending this model by incorporating short-range atom–atom interactions makes the problem intractable but is expected to produce new physical phenomena and phases. Here, we simulate such an extended Dicke model using a crystal of ErFeO3, where the role of atoms (photons) is played by Er3+ spins (Fe3+ magnons). Through terahertz spectroscopy and magnetocaloric effect measurements as a function of temperature and magnetic field, we demonstrated the existence of a novel atomically ordered phase in addition to the superradiant and normal phases that are expected from the standard Dicke model. Further, we elucidated the nature of the phase boundaries in the temperature–magnetic-field phase diagram, identifying both first-order and second-order phase transitions. These results lay the foundation for studying multiatomic quantum optics models using well-characterized many-body solid-state systems.Item CrysFormer: Protein structure determination via Patterson maps, deep learning, and partial structure attention(AIP Publishing LLC, 2024) Pan, Tom; Dun, Chen; Jin, Shikai; Miller, Mitchell D.; Kyrillidis, Anastasios; Phillips, George N., Jr.Determining the atomic-level structure of a protein has been a decades-long challenge. However, recent advances in transformers and related neural network architectures have enabled researchers to significantly improve solutions to this problem. These methods use large datasets of sequence information and corresponding known protein template structures, if available. Yet, such methods only focus on sequence information. Other available prior knowledge could also be utilized, such as constructs derived from x-ray crystallography experiments and the known structures of the most common conformations of amino acid residues, which we refer to as partial structures. To the best of our knowledge, we propose the first transformer-based model that directly utilizes experimental protein crystallographic data and partial structure information to calculate electron density maps of proteins. In particular, we use Patterson maps, which can be directly obtained from x-ray crystallography experimental data, thus bypassing the well-known crystallographic phase problem. We demonstrate that our method, CrysFormer, achieves precise predictions on two synthetic datasets of peptide fragments in crystalline forms, one with two residues per unit cell and the other with fifteen. These predictions can then be used to generate accurate atomic models using established crystallographic refinement programs.Item Breakdown of Boltzmann-type models for the alignment of self-propelled rods(Elsevier, 2024) Murphy, Patrick; Perepelitsa, Misha; Timofeyev, Ilya; Lieber-Kotz, Matan; Islas, Brandon; Igoshin, Oleg A.; Center for Theoretical Biological PhysicsStudies in the collective motility of organisms use a range of analytical approaches to formulate continuous kinetic models of collective dynamics from rules or equations describing agent interactions. However, the derivation of these kinetic models often relies on Boltzmann’s “molecular chaos” hypothesis, which assumes that correlations between individuals are short-lived. While this assumption is often the simplest way to derive tractable models, it is often not valid in practice due to the high levels of cooperation and self-organization present in biological systems. In this work, we illustrated this point by considering a general Boltzmann-type kinetic model for the alignment of self-propelled rods where rod reorientation occurs upon binary collisions. We examine the accuracy of the kinetic model by comparing numerical solutions of the continuous equations to an agent-based model that implements the underlying rules governing microscopic alignment. Even for the simplest case considered, our comparison demonstrates that the kinetic model fails to replicate the discrete dynamics due to the formation of rod clusters that violate statistical independence. Additionally, we show that introducing noise to limit cluster formation helps improve the agreement between the analytical model and agent simulations but does not restore the agreement completely. These results highlight the need to both develop and disseminate improved moment-closure methods for modeling biological and active matter systems.Item Exploring Sensitized Photon Upconversion – From Past to Present(Swiss Chemical Society, 2024) Sullivan, Colette M.; Nienhaus, LeaThe conversion of low energy photons into high energy photons via triplet-triplet annihilation (TTA) photon upconversion (UC) has become a promising avenue for furthering a wide range of optoelectronic applications. Through the decades of research, many combinations of triplet sensitizer species and annihilator molecules have been investigated unlocking the entire visible spectrum upon proper pairings of sensitizer and annihilator identities. Here, we reflect upon the seminal works which lay the foundation for TTA-UC originating from solution-based methods and highlight the recent advances made within the solid state primarily focusing on perovskite-based triplet generation.Item Programmed multimaterial assembly by synergized 3D printing and freeform laser induction(Springer Nature, 2024) Zheng, Bujingda; Xie, Yunchao; Xu, Shichen; Meng, Andrew C.; Wang, Shaoyun; Wu, Yuchao; Yang, Shuhong; Wan, Caixia; Huang, Guoliang; Tour, James M.; Lin, Jian; Smalley-Curl InstituteIn nature, structural and functional materials often form programmed three-dimensional (3D) assembly to perform daily functions, inspiring researchers to engineer multifunctional 3D structures. Despite much progress, a general method to fabricate and assemble a broad range of materials into functional 3D objects remains limited. Herein, to bridge the gap, we demonstrate a freeform multimaterial assembly process (FMAP) by integrating 3D printing (fused filament fabrication (FFF), direct ink writing (DIW)) with freeform laser induction (FLI). 3D printing performs the 3D structural material assembly, while FLI fabricates the functional materials in predesigned 3D space by synergistic, programmed control. This paper showcases the versatility of FMAP in spatially fabricating various types of functional materials (metals, semiconductors) within 3D structures for applications in crossbar circuits for LED display, a strain sensor for multifunctional springs and haptic manipulators, a UV sensor, a 3D electromagnet as a magnetic encoder, capacitive sensors for human machine interface, and an integrated microfluidic reactor with a built-in Joule heater for nanomaterial synthesis. This success underscores the potential of FMAP to redefine 3D printing and FLI for programmed multimaterial assembly.Item A Detailed Clinical Case of Localized Prostate Tumors Treated with Nanoparticle-Assisted Sub-Ablative Laser Ablation(MDPI, 2024) Kadria-Vili, Yara; Schwartz, Jon A.; Polascik, Thomas J.; Goodrich, Glenn P.; Jorden, David; Pinder, Diane; Halas, Naomi J.; Rastinehad, Ardeshir R.; Laboratory for NanophotonicsAuroLase® Therapy—a nanoparticle-enabled focal therapy—has the potential to safely and effectively treat localized prostate cancer (PCa), preserving baseline functionality. This article presents a detailed case of localized PCa treated with AuroLase, providing insight on expectations from the diagnosis of PCa to one year post-treatment. AuroLase Therapy is a two-day treatment consisting of a systemic infusion of gold nanoshells (~150-nm hydrodynamic diameter) on Day 1, and sub-ablative laser treatment on Day 2. Multiparametric MRI (mpMRI) was used for tumor visualization, treatment planning, and therapy response assessment. The PCa was targeted with a MR/Ultrasound-fusion (MR/US) transperineal approach. Successful treatment was confirmed at 6 and 12 months post-treatment by the absence of disease in MR/US targeted biopsies. On the mpMRI, confined void space was evident, an indication of necrotic tissues encompassing the treated lesion, which was completely resolved at 12 months, forming a band-like scar with no evidence of recurrent tumor. The patient’s urinary and sexual functions were unchanged. During the one-year follow-up, changes on the DCE sequence and in the Ktrans and ADC values assist in qualitatively and quantitatively evaluating tissue changes. The results highlight the potential of gold-nanoparticle-enabled sub-ablative laser treatment to target and control localized PCa, maintain quality of life, and preserve baseline functionality.Item Oxidized Activated Charcoal Nanozymes: Synthesis, and Optimization for In Vitro and In Vivo Bioactivity for Traumatic Brain Injury(Wiley, 2024) McHugh, Emily A.; Liopo, Anton V.; Mendoza, Kimberly; Robertson, Claudia S.; Wu, Gang; Wang, Zhe; Chen, Weiyin; Beckham, Jacob L.; Derry, Paul J.; Kent, Thomas A.; Tour, James M.; Smalley-Curl Institute;NanoCarbon Center;Welch Institute for Advanced MaterialsCarbon-based superoxide dismutase (SOD) mimetic nanozymes have recently been employed as promising antioxidant nanotherapeutics due to their distinct properties. The structural features responsible for the efficacy of these nanomaterials as antioxidants are, however, poorly understood. Here, the process–structure–property–performance properties of coconut-derived oxidized activated charcoal (cOAC) nano-SOD mimetics are studied by analyzing how modifications to the nanomaterial's synthesis impact the size, as well as the elemental and electrochemical properties of the particles. These properties are then correlated to the in vitro antioxidant bioactivity of poly(ethylene glycol)-functionalized cOACs (PEG-cOAC). Chemical oxidative treatment methods that afford smaller, more homogeneous cOAC nanoparticles with higher levels of quinone functionalization show enhanced protection against oxidative damage in bEnd.3 murine endothelioma cells. In an in vivo rat model of mild traumatic brain injury (mTBI) and oxidative vascular injury, PEG-cOACs restore cerebral perfusion rapidly to the same extent as the former nanotube-derived PEG-hydrophilic carbon clusters (PEG-HCCs) with a single intravenous injection. These findings provide a deeper understanding of how carbon nanozyme syntheses can be tailored for improved antioxidant bioactivity, and set the stage for translation of medical applications.Item Non-volatile magnon transport in a single domain multiferroic(Springer Nature, 2024) Husain, Sajid; Harris, Isaac; Meisenheimer, Peter; Mantri, Sukriti; Li, Xinyan; Ramesh, Maya; Behera, Piush; Taghinejad, Hossein; Kim, Jaegyu; Kavle, Pravin; Zhou, Shiyu; Kim, Tae Yeon; Zhang, Hongrui; Stevenson, Paul; Analytis, James G.; Schlom, Darrell; Salahuddin, Sayeef; Íñiguez-González, Jorge; Xu, Bin; Martin, Lane W.; Caretta, Lucas; Han, Yimo; Bellaiche, Laurent; Yao, Zhi; Ramesh, Ramamoorthy; Rice Advanced Materials InstituteAntiferromagnets have attracted significant attention in the field of magnonics, as promising candidates for ultralow-energy carriers for information transfer for future computing. The role of crystalline orientation distribution on magnon transport has received very little attention. In multiferroics such as BiFeO3 the coupling between antiferromagnetic and polar order imposes yet another boundary condition on spin transport. Thus, understanding the fundamentals of spin transport in such systems requires a single domain, a single crystal. We show that through Lanthanum (La) substitution, a single ferroelectric domain can be engineered with a stable, single-variant spin cycloid, controllable by an electric field. The spin transport in such a single domain displays a strong anisotropy, arising from the underlying spin cycloid lattice. Our work shows a pathway to understanding the fundamental origins of magnon transport in such a single domain multiferroic.Item Nondestructive flash cathode recycling(Springer Nature, 2024) Chen, Weiyin; Cheng, Yi; Chen, Jinhang; Bets, Ksenia V.; Salvatierra, Rodrigo V.; Ge, Chang; Li, John Tianci; Luong, Duy Xuan; Kittrell, Carter; Wang, Zicheng; McHugh, Emily A.; Gao, Guanhui; Deng, Bing; Han, Yimo; Yakobson, Boris I.; Tour, James M.; Applied Physics Program;Smalley-Curl Institute;NanoCarbon Center;Rice Advanced Materials InstituteEffective recycling of end-of-life Li-ion batteries (LIBs) is essential due to continuous accumulation of battery waste and gradual depletion of battery metal resources. The present closed-loop solutions include destructive conversion to metal compounds, by destroying the entire three-dimensional morphology of the cathode through continuous thermal treatment or harsh wet extraction methods, and direct regeneration by lithium replenishment. Here, we report a solvent- and water-free flash Joule heating (FJH) method combined with magnetic separation to restore fresh cathodes from waste cathodes, followed by solid-state relithiation. The entire process is called flash recycling. This FJH method exhibits the merits of milliseconds of duration and high battery metal recovery yields of ~98%. After FJH, the cathodes reveal intact core structures with hierarchical features, implying the feasibility of their reconstituting into new cathodes. Relithiated cathodes are further used in LIBs, and show good electrochemical performance, comparable to new commercial counterparts. Life-cycle-analysis highlights that flash recycling has higher environmental and economic benefits over traditional destructive recycling processes.