Symmetry is the Key to the Design of Reticular Frameworks
Computational prediction of the molecular structure of porous materials, particularly reticular framework materials such as MOFs and COFs, remains a significant challenge. Considering the symmetry of the building blocks that form the desired material, and a similarity score with existing experimentally characterized structures, helps identify promising new candidates; which can subsequently be used for further computational modeling and experimental validation.
Abstract
De novo prediction of reticular framework structures is a challenging task for chemists and materials scientists. Herein, a computational workflow that predicts a list of possible reticular frameworks based on only the connectivity and symmetry of node and linker building blocks is presented. This list is ranked based on the occurrence of topologies in known structures, thus providing a manageable number of structures that can be optimized using density functional theory, and inform future experiments. This workflow is broadly applicable, correctly predicts known reticular materials, and furthermore identifies novel unknown phases for some systems. This workflow is available online at https://rationaldesign.pythonanywhere.com/.
A Gradient Enamel‐Mimetic Composite via Crisscross Assembly of Aligned Hybrid Nanowires for Excellent Mechanical Performance
Gradient enamel-mimetic composites (GEMC) are fabricated by the magnetic-assisted dual-directional freezing assembly of amorphous ZrO2 layer-coated hydroxyapatite nanowires and subsequently, scalable layer-by-layer assembly with nanowires’ direction crossed stacking. The enamel analog exhibits high strength and toughness surpassing the natural tooth enamel, and simultaneously high stiffness and damping comparable to those of enamel, as well as high fatigue resistance. Such an enamel biomimetic strategy offers guidelines for the engineering of gradient structure materials with excellent mechanical properties.
Abstract
Materials with excellent comprehensive mechanical properties (e.g., strength and toughness, stiffness and damping, fatigue et al.) are highly desirable for engineering applications, while it is still challenged for design. Tooth enamel is a typical biomaterial with outstanding mechanical properties that originate from its multiscale and gradient structure. Some composites with enamel-like multiscale structures are successfully synthesized, but mimicking the gradient structure of tooth enamel is still difficult to realize. Here, an enamel analog is fabricated with a gradient structure similar to inner enamel based on the crisscross assembly of aligned hybrid nanowires through a magnetic-assisted freeze casting and subsequent mechanical compression strategy. The gradient enamel-mimetic composites exhibited high strength and toughness surpassing the natural tooth enamel, and simultaneously high stiffness and damping comparable to those of enamel, as well as high fatigue resistance. The interface reinforcement of gradient structure, crystal/amorphous and organic/inorganic, fundamentally accounted for high mechanical performance. The gradient design strategy provides an avenue for the engineering of structural materials with excellent mechanical properties.
Precision Synthesis of a Single Chain Polymorph of a 2D Solid within Single‐Walled Carbon Nanotubes
The precise synthesis of 1D materials has enabled the discovery of physical properties only accessible in length scales close to the atomic scale. Herein, it is demonstrated that encapsulation within single-walled carbon nanotubes with matching diameters leads to a stoichiometric quasi-1D van der Waals polymorph of a 2D pnictogen chalcogenide, Sb2Te3, with a blue-shifted band gap in the short-wave infrared regime.
Abstract
The discovery and synthesis of atomically precise low-dimensional inorganic materials have led to numerous unusual structural motifs and nascent physical properties. However, access to low-dimensional van der Waals (vdW)-bound analogs of bulk crystals is often limited by chemical considerations arising from structural factors like atomic radii, bonding or coordination, and electronegativity. Using single-walled carbon nanotubes (SWCNTs) as confinement templates, we demonstrate the synthesis of a short-wave infrared-absorbing quasi-1D (q-1D) chain polymorph of Sb2Te3 ([Sb4Te6]n) that is structurally and electronically distinct from its 2D counterpart. It is found that the q-1D chain polymorph has both three- and five-coordinate Sb atoms covalently bonded to Te and is thermodynamically stabilized by the electrostatic interaction between the encapsulated chain and the model SWCNT. The complementary experimental and computational results demonstrate the synthetic advantage of vdW nanotube confinement in the discovery of low-dimensional polytypes with drastically altered physical properties and potential applications in energy conversion processes.
Tue 06 May 11:00: LHCb Upgrade II - Flavour Physics at HL-LHC
The LHCb Detector, after performing beyond specification during Run 1+2 of the LHC , was successfully upgraded during Long Shutdown 2 to the current detector, increasing the instantaneous luminosity by a factor of 5 and moving to a fully software-based trigger. This will further LHCb’s physics reach, enabling more world-leading measurements of CP violation, rare b and c hadron decays and the further discovery of new particles through spectroscopy.
LHCb Upgrade II is the planned next upgrade to be installed during LS4 , allowing LHCb to operate through to the end of the LHC schedule, ramping up with the increased HL-LHC luminosity to ~40 pp collisions per bunch crossing. This will provide an unprecedented and unmatched sample of b and c hadron decays, increasing the total luminosity yield seven-fold, with unique acceptance and a diverse physics programme. This will require a complete overhaul of the sub-detectors with time resolution, high granularity and extreme radiation hardness required to manage the increase in rate.
The motivations for LHCb Upgrade II will be presented along with an overview of the detector upgrades before focusing on the VErtex LOcator (VELO) and the recent progress on VELO Upgrade II design, simulation and ongoing R&D. Finally, the possible VELO readout methods will be discussed, with the high rates producing 20+ Tbps from the sub-detector.
- Speaker: Dan Thompson: University of Birmingham
- Tuesday 06 May 2025, 11:00-12:00
- Venue: Seminar Room -- RDC D2.002 .
- Series: Cavendish HEP Seminars; organiser: Dr Paul Swallow.
Multiscale coupled electron-ion transport in semi-solid lithium flow batteries
DOI: 10.1039/D5EE00569H, Review ArticleShanshan Pan, Wenhao Fang, Jie Yan, Suojiang Zhang, Haitao Zhang
Semi-solid lithium flow batteries (LFBs), inheriting the advantages of high scalability of flow batteries (FBs) and high energy density of rechargeable lithium ion batteries (LIBs), are considered as an emerging...
The content of this RSS Feed (c) The Royal Society of Chemistry
Achieving persistent and ultra-high voltage output through arid-adapted plants-inspired high-performance moisture-electric generator
DOI: 10.1039/D5EE01194A, PaperYu Chen, Chengwei Ye, Jiajun He, Rui Guo, Liangti Qu, Shaochun Tang
Moisture-electric generator (MEG) present a promising alternative to conventional batteries, particularly for off-grid and decentralized power applications. However, existing MEGs suffer from low power output, instability, and limited scalability due...
The content of this RSS Feed (c) The Royal Society of Chemistry
Built-in Single-Ion-Conducting Polymer Bridges for Superior Ion Transport Enabling Long-Life and High-Voltage Lithium-Metal Batteries
DOI: 10.1039/D5EE01338K, PaperJiajun Gong, Qimin Peng, Shunshun Zhao, Taolue Wen, Haojie Xu, Weiting Ma, Zhicheng Yao, Yong Chen, Guoxiu Wang, Shimou Chen
Composite polymer electrolyte (CPE)-based Li metal batteries have emerged as the most promising candidates for next-generation batteries. However, intrinsic incompatibility between composite phases severely compromises electrolyte performance. Herein, we propose...
The content of this RSS Feed (c) The Royal Society of Chemistry
Fri 06 Jun 16:00: TBA
Abstract not available
- Speaker: Kay Schönwald (Zurich U.)
- Friday 06 June 2025, 16:00-17:00
- Venue: Ray Dolby Centre, Seminar Room - North (Floor: 0 A0.019).
- Series: HEP phenomenology joint Cavendish-DAMTP seminar; organiser: Terry Generet.
Fri 16 May 16:00: TBA
Abstract not available
- Speaker: Tyler Corbett (Vienna U.)
- Friday 16 May 2025, 16:00-17:00
- Venue: Ray Dolby Centre, Seminar Room - North (Floor: 0 A0.019).
- Series: HEP phenomenology joint Cavendish-DAMTP seminar; organiser: Nico Gubernari.
Fri 09 May 16:00: Resummation of Non-Global Logarithms
An intricate pattern of enhanced higher-order corrections known as non-global logarithms arises in cross sections with angular cuts. While the leading logarithmic terms have been calculated numerically more than two decades ago, the resummation of subleading non-global logarithms remained an open problem. In this seminar, I will present a solution to this challenge using effective field theory techniques. Starting from a factorization theorem, we develop a dedicated parton shower framework in the Veneziano limit where the number of colors Nc becomes large, but the ratio of Nc to the number of fermion flavors nF remains fixed. We solve the associated renormalization-group equations using the Monte-Carlo framework MARZILI , thereby resumming the subleading non-global logarithms. To demonstrate the validity of our approach, we will show results of an ongoing comparison between MARZILI , GNOLE and PanScales.
- Speaker: Nicolas Schalch (Oxford U.)
- Friday 09 May 2025, 16:00-17:00
- Venue: Ray Dolby Centre, Seminar Room - North (Floor: 0 A0.019).
- Series: HEP phenomenology joint Cavendish-DAMTP seminar; organiser: Nico Gubernari.
Fri 02 May 16:00: Connecting scales in the SMEFT at the LHC and future colliders
Given the absence of direct evidence for new resonances beyond the Standard Model at the LHC so far, a complementary strategy to search for new physics in an indirect way is provided by the Standard Model Effective Field Theory (SMEFT). Global interpretations within the SMEFT framework, including their matching to UV-complete models, involve energy scales spanning several orders of magnitude. In this talk, I will demonstrate how to relate these measurements among them in terms of a common energy scale as enabled by the Renormalisation Group Equations. I will then quantify their impact in a global SMEFT fit to LEP and LHC data, presenting results in terms of SMEFT parameters as well as UV couplings. Finally, I will show a brief application to the Higgs self-coupling using projected data from the HL-LHC and the FCC -ee.
- Speaker: Jaco ter Hoeve (University of Edinburgh)
- Friday 02 May 2025, 16:00-17:00
- Venue: Ray Dolby Centre, Seminar Room - North (Floor: 0 A0.019).
- Series: HEP phenomenology joint Cavendish-DAMTP seminar; organiser: Nico Gubernari.
Mon 12 May 17:00: Exploring the interplay between Ricci Flow, the Fisher Information Matrix and Gradient Descent in Neural Networks
Part III Thesis (Physics)
- Speaker: Physics
- Monday 12 May 2025, 17:00-17:45
- Venue: Lecture Theatre 2, Computer Laboratory, William Gates Building.
- Series: Foundation AI; organiser: Pietro Lio.
Fri 09 May 16:00: Project Sound – research on a fully active car suspension
For 32 years Bose ran a research project into fully active, electromagnetically actuated automotive suspension systems. While perhaps a surprising direction for a company known for its audio products, it highlights the company’s long history and philosophy of focussing on research to create new and delightful customer experiences. The talk will give an overview of the project, as well as dig into a curious mechanical limitation it ran into: the invariant point.
- Speaker: Dr Ole Nielsen, Bose/CUED
- Friday 09 May 2025, 16:00-17:00
- Venue: JDB Seminar Room, CUED.
- Series: Engineering - Dynamics and Vibration Tea Time Talks; organiser: div-c.
Fri 20 Jun 16:00: Title to be confirmed
Abstract not available
- Speaker: tbc
- Friday 20 June 2025, 16:00-17:00
- Venue: JDB Seminar Room, CUED.
- Series: Engineering - Dynamics and Vibration Tea Time Talks; organiser: div-c.
Wed 07 May 16:00: The Importance of Distinguishing Between Misinformation and Disinformation
As disinformation fighters we sometimes use the terms misinformation and disinformation interchangeably amongst ourselves, because we know what we mean and understand how they are similar and different—even if we are fighting both at once. When this carries over into conversations with media and the general public, however, the results can be disastrous. Cable news anchors often prefer the term “misinformation” because it shields them from having to report on strategic denialist campaigns and the people who are behind them as a lie rather than a mistake. As a result, their audience may not appreciate that what we are up against is often more like information warfare than a natural disaster, which marks the difference between being helpless and having the tools to fight back. In this talk I will argue that we sometimes undermine our own efforts in fighting back against disinformation when we fail to distinguish sharply between these two terms.
- Speaker: Lee McIntyre (Boston University)
- Wednesday 07 May 2025, 16:00-17:00
- Venue: Ground Floor Lecture Theatre, Department of Psychology, Downing Site, Cambridge.
- Series: Social Psychology Seminar Series (SPSS); organiser: Yara Kyrychenko.
Cell Surface‐Tethered Nucleic Acid Therapeutics Program Robust and Tumor‐Responsive Enhancement of Adoptive Cell Therapy
The efficacy of adoptive T cell therapy (ACT) against solid tumors is limited by the immunosuppressive tumor microenvironment. This study develops cell-surface-anchored tumor-responsive nucleic acid therapeutics (NATs) to arm ACT cells by synergistic blockade of inhibitory pathways. NAT backpacks substantially improve the efficacy of ACT and are broadly applicable to various ACTs involving TCR-T and CAR-T cells.
Abstract
The efficacy of adoptive T cell therapy (ACT) against solid tumors is significantly limited by the immunosuppressive tumor microenvironment (TME). Systemic administration of immunostimulants provides inadequate support to ACT cells and often elicits systemic toxicities. Here we present cell-surface-anchored nucleic acid therapeutics (NATs) to robustly enhance ACT through synergistic blockade of immunosuppressive adenosine and PD-1/PD-L1 pathways in tumors. Two distinct NATs-DNA aptamers targeting PD-L1 (aptPD-L1) and ATP (aptATP)-are engineered to form partially-hybridized duplexes (aptDual) that can efficiently anchor to cell surface before transfer. Backpacked aptDual spatial-temporally co-localize with ACT cells in vivo and jointly infiltrate the ATP-rich TME. Upon binding with ATP, aptDual dissociates to responsively release aptPD-L1. Concurrently, aptATP scavenges extracellular ATP and its metabolite adenosine to disrupt the inhibitory adenosinergic axis, thereby sensitizing ACT cells to immune checkpoint blockade by aptPD-L1. This dual inhibition elicited a remarkable 40-fold increase in functional tumor-infiltrating ACT cells, substantially boosting the efficacy of TCR-T and CAR-T cells in multiple solid tumor models, even in immunologically “cold” tumors. NAT backpacks provide a facile, versatile, and safe strategy to augment various ACTs against solid tumors.
A Durable and Highly Active Oxygen Electrode for Solid Oxide Cells: New Insight into Segregation Suppression of Layered Perovskite
High entropy oxides (HEOs) have attracted significant attention in the field of Solid oxide cells (SOCs) owing to their outstanding advantages. However, there is a lack of studies on mechanism through which entropy increases in HEO oxygen electrodes affects segregation suppression. Based on PrBa0.5Sr0.5Co1.5Fe0.5O5+δ (PBSCF), a novel (La0.25Pr0.25Nd0.25Sm0.25)Ba0.5Sr0.5Co1.5Fe0.5O5+δ (LPNSBSCF) oxygen electrode is designed and fabricated in this work to claim the mechanism of entropy-enhanced in layered perovskite.
Abstract
One challenge to realize the commercialization of solid oxide cell technology is the instability and poor catalytic activity of the oxygen electrode during stack operation caused by Cr-containing alloy interconnect. Particularly well-known Sr/Ba-containing perovskite oxides can easily segregate Sr/Ba to the surface, reacting with vaporized Cr and causing Cr poisoning. To address this challenge, this work designs an entropy-driven layered structural strategy to suppress the surface segregation of cations and realize substantial enhancement of catalysis activity and Cr tolerance. The investigations suggest that the planar strain generated by entropy increase in the rare earth layer plays a pivotal role in suppressing alkaline earth segregation. Consequently, the half-cells with (La0.25Pr0.25Nd0.25Sm0.25)Ba0.5Sr0.5Co1.5Fe0.5O5+δ (LPNSBSCF) oxygen electrode exhibit significantly improved stability in various operation conditions with Cr containment. Furthermore, LPNSBSCF shows the high power density of 2.12 W cm−2 at 800 °C and 1.41 W cm−2 at 650 °C in the single cells of oxygen ion and proton type, respectively. This paper provides new insights into segregation suppression in layered perovskite and offers theoretical guidance for the rational design of oxygen electrodes to achieve high Cr-tolerance and catalytic activity.
CO2 Laser‐Stabilized Ni‐Co Dual Single‐Atomic Sites for Energy Generation and Ammonia Harvesting
A rapid, scalable CO2-laser irradiation method is reported to anchor Ni and Co as dual single atoms on L-tryptophan-modified Ti3C2T x MXene (DSAC). The resulting DSAC enables efficient NO3 −-to- NH3 conversion in a Zn–NO3 − battery, achieving simultaneous nitrate removal, energy generation, and ammonia synthesis via a potential-resolved reaction pathway.
Abstract
Dual single-atom catalysts (DSACs) hold immense potential in electrochemical nitrate (NO3 −) reduction (EcNR) as a sustainable replacement to the Haber–Bosch process for the production of ammonia (NH3). However, challenges such as synthesis complexity, low purity, scalability, and stability have hindered their practical application. Herein, a rapid and scalable method is introduced to stabilize low-cost 3d transition metals (Ni and Co) as DSACs on Ti3C2T x MXene in 10 min using continuous-wave CO2-laser irradiation. Ni2+ and Co2+ ions are chelated and stabilized as single atoms onto an L-tryptophan-modified Ti3C2T x surface via metal─O and metal─N bonds, forming Ni-single atom catalyst (SAC)/MXene, Co-SAC/MXene, and NiCo-DSAC/MXene. This approach enhances MXene properties, enabling the synthesis of efficient atomic-level electrocatalysts. Potential-resolved in situ Raman spectroelectrochemistry and density functional theory reveal that EcNR proceeds through NO3 − reduction to *NO2, *NO, *NH, and *NH2 intermediates, ultimately forming NH3 via final protonation step. This process exhibits a low limiting potential of −0.37 V, with *NO2 protonation identified as the critical step. NiCo-DSAC/MXene exhibited superior EcNR performance for NH3 production in 1.0 M potassium hydroxide with sustained multiple cyclic stability. Furthermore, this catalyst is integrated into a Zn–NO3 − a battery that simultaneously removes NO3 −, generates energy, and synthesizes NH3.
Detecting Cr6+ at ≈100 pM Concentration with Fluorescence Enhancement Signatures in a Novel Eco‐Fluorophore: Matching WHO's 96 pM Recommended Standard for Drinking Water
Through a dual-functionalization strategy, carbon quantum dots (CQD) with exceptional fluorescence properties are engineered. These CQD are integrated with graphitic carbon nitride to form a 2D/2D heterostructure via both covalent and non-covalent modification. This integration enables ultra-trace Cr⁶⁺ detection with a limit of detection ≈70 pM—surpassing state-of-the-art Cr⁶⁺ sensors.
Abstract
Hexavalent chromium (Cr6+) ions in drinking water pose a significant risk to human health, being a leading cause for neurological disorders, organ damage, and infertility. This study introduces an ultrasensitive method for detecting trace Cr6+ over a wide concentration range (≈ 100 pM – 100 µM) through fluorescence enhancement signatures via integration of both covalent and non-covalent interaction strategies on carbon quantum dots (CQD). The covalent functionalization is achieved from dual-functionalized CQD (CQD-(NH2, COOH)) derived from coffee-waste. Additionally, the covalent and non-covalent approach integrates CQD-(NH2, COOH) with graphitic carbon nitride (g-C3N4) to form a 2D/2D heterostructure. The synergy between CQD-(NH2, COOH) and g-C3N4 introduces a mid-gap band in their band structure, allowing multiple carrier excitation and recombination states, significantly enhancing the fluorescence quenching signal. This combination allows to achieve Cr6+ detection sensitivity down to ≈100 pM concentration—matching the World Health Organization's 96 pM permissible limit of total Cr in drinking water. Furthermore, a 70 pM detection limit is reported for Cr6+ in a mixture of twelve ions, including cations and anions, surpassing current state-of-the-art detection limits. These results highlight the potential of dual covalent and non-covalent modification strategy in nanomaterials to set new standards in ultrasensitive and wide-range fluorescent sensing applications.
Modulation of Magnetic Domain and the Occurrence of Antisymmetric Magnetoresistance in the Folded van der Waals Ferromagnet Fe3GaTe2
A new methodology is demonstrated that leverages the flexible nature of van der Waals ferromagnet, specifically employing an origami technique to modulate magnetic domains. A previously rarely observed antisymmetric magnetoresistance effect is detected in folded vdW Fe3GaTe2 devices. The results highlight the potential for fabricating novel spintronic devices based on this origami-like domain structure engineering method.
Abstract
Emergent magnetism in 2D materials has attracted significant attention due to their intrinsic magnetic order, which persists down to the monolayer limit, and their potential applications in spintronic devices. In particular, domain structure modulation plays a crucial role in 2D magnet-based nano-spintronic devices. However, the fabrication and modulation of the desired domain structure, along with the establishment of reliable electrical write/read operations, remain significant challenges. Herein, a unique structure-shaping way to modulate domain structure is demonstrated via folding a continuous flat Fe3GaTe2 nanosheet. Accompanied by magnetic domain structure transformation, the symmetric butterfly-shaped magnetoresistance (MR) curve changes to an antisymmetric field-dependent magnetoresistance. Notably, the MR exhibits either the same or opposite sign at geometrically equivalent positions, depending on the relative angle of the current flow and domain wall direction. The MR behavior with respect to sweeping field and electrodes position is due to the circulating current in the vicinity of the domain wall. More importantly, this new concept of manipulating domain structure and its associated magneto-transport behavior can inspire novel spintronic devices fabrication and application.