Central Charge Research Articles

Modulation of Photocatalytic CO2 Reduction by n-p Codoping Engineering of Single-Atom Catalysts.

Transition metal (TM) single-atom catalysts (SACs) have been widely applied in photocatalytic CO2 reduction. In this work, n-p codoping engineering is introduced to account for the modulation of photocatalytic CO2 reduction on a two-dimensional (2D) bismuth-oxyhalide-based cathode by using first-principles calculation. n-p codoping is established via the Coulomb interactions between the negatively charged TM SACs and the positively charged Cl vacancy (VCl) in the dopant-defect pairs. Based on the formation energy of charged defects, neutral dopant-defect pairs for the Fe, Co, and Ni SACs (PTM0) and the -1e charge state of the Cu SAC-based pair (PCu-1) are stable. The electrostatic attraction of the n-p codoping strengthens the stability and solubility of TM SACs by neutralizing the oppositely charged VCl defect and TM dopant. The n-p codoping stabilizes the electron accumulation around the TM SACs. Accumulated electrons modify the d-orbital alignment and shift the d-band center toward the Fermi level, enhancing the reducing capacity of TM SACs based on the d-band theory. Besides the electrostatic attraction of the n-p codoping, the PCu-1 also accumulates additional electrons surrounding Cu SACs and forms a half-occupied dx2-y2 state, which further upshifts the d-band center and improves photocatalytic CO2 reduction. The metastability of Cl multivacancies limits the concentration of the n-p pairs with Cl multivacancies (PTM@nCl (n > 1)). Positively charged centers around the PTM@nCl (n > 1) hinders the CO2 reduction by shielding the charge transfer to the CO2 molecule.

Local charge regulation via selenium vacancies engineering in dielectric cobalt diselenide with enhanced microwave absorption

The weak electromagnetic loss capability of the single semiconductor material is difficult to meet the complicated electromagnetic environment nowadays, so vacancy engineering is employed to optimize the dielectric loss capability of CoSe2. Selenium vacancies are introduced into CoSe2 by re-annealing treatment, and the test results show that the selenium vacancies concentration enlarged with annealing temperature. The formation of selenium vacancies introduces a localized state in CoSe2, which enhances the capability of CoSe2 to trap charge carriers, and the increased conductivity contributes to the enhancement of the dielectric loss capability. Density Functional Theory (DFT) calculations demonstrate that the selenium vacancies disrupt the original charge equilibrium distribution of the CoSe2, and the non-recombined positive and negative charge centers induce a strong electric dipole polarization loss. Benefiting from the optimization of CoSe2 dielectric loss by the selenium vacancies engineering, RLmin of CoSe2-600 reaches −30.73 dB and the effective absorption bandwidth reaches 4.00 GHz at 1.8 mm. This study provides a simple and effective solution to optimize the microwave absorption performance of single-component microwave absorption materials.

Universal relations of dyonic ModMax and Taub-NUT black holes thermodynamics and central charge

Universal relations of dyonic ModMax and Taub-NUT black holes thermodynamics and central charge

Search for an antiferromagnetic Weyl semimetal in (MnTe) m (Sb2Te3) n and (MnTe) m (Bi2Te3) n superlattices

The interaction between topology and magnetism can lead to novel topological materials including Chern insulators, axion insulators, and Dirac and Weyl semimetals. In this work, a family of van der Waals layered materials using MnTe and Sb2Te3 or Bi2Te3 superlattices as building blocks are systematically examined in a search for antiferromagnetic Weyl semimetals, preferably with a simple node structure. The approach is based on controlling the strength of the exchange interaction as a function of layer composition to induce the phase transition between the topological and the normal insulators. Our calculations, utilizing a combination of first-principles density functional theory and tight-binding analyses based on maximally localized Wannier functions, clearly indicate a promising candidate for a type-I magnetic Weyl semimetal. This centrosymmetric material, Mn10Sb8Te22 (or (MnTe) m (Sb2Te3) n with m = 10 and n = 4), shows ferromagnetic intralayer and antiferromagnetic interlayer interactions in the antiferromagnetic ground state. The obtained electronic bandstructure also exhibits a single pair of Weyl points in the spin-split bands consistent with a Weyl semimetal. The presence of Weyl nodes is further verified with Berry curvature, Wannier charge center, and surface state (i.e. Fermi arc) calculations. Other combinations of the MnSbTe-family materials are found to be antiferromagnetic topological or normal insulators on either side of the Mn:Sb ratio, respectively, illustrating the topological phase transition as anticipated. A similar investigation in the homologous (MnTe) m (Bi2Te3) n system produces mostly nontrivial antiferromagnetic insulators due to the strong spin–orbit coupling. When realized, the antiferromagnetic Weyl semimetals in the simplest form (i.e. a single pair of Weyl nodes) are expected to provide a promising candidate for low-power spintronic applications.

Electronic modulation on allotropic Co2P/CoP heterojunctions with N, P co-doped porous carbon matrix through metal-injection toward high-efficiency water splitting

The interfacial electron modulation of electrocatalysts is a useful technique for promoting catalyst performance for the water-related dissociation reactions. Herein, a high-efficient Fe-doped allotropic Co2P/CoP heterojunction nanoparticles embedded in N, P co-doped carbon matrix was constructed. The intense electrical interfacial contacts between the allotropic heterojunction optimized the reaction kinetics by boosting efficient charged active centers, regulating the intermediate adsorption/desorption. The incorporation of Fe atoms further enhancing the heterointerface contact between CoP and Co2P by providing favorable electronic properties and special coordination environment, causing the interfacial coupling enhancement. Therefore, Fe-Co2P/CoP possesses outstanding performance in both hydrogen evolution reaction and oxygen evolution reaction, with small overpotentials of 174 mV and 286 mV at 10 mA·cm−2 in alkaline medium, respectively. And only 1.71 V battery voltage is needed for the Fe-Co2P/CoP (+, −) cell device with satisfactory durability. This finding provides valuable insights into the engineering of electronic structures of well-designed metal phosphides for water electrolysis.

Representations of the [formula omitted]-series related to the q-analog Virasoro-like Lie algebra

In this paper, we study the representation of an infinite-dimensional Lie algebra C related to the q-analog Virasoro-like Lie algebra. We give the necessary and sufficient conditions for the highest weight irreducible module V(ϕ) of C to be a Harish-Chandra module. We prove that the Verma C-module V¯(ϕ) is either irreducible or has the corresponding irreducible highest weight C-module V(ϕ) that is a Harish-Chandra module. We also give the maximal proper submodule of the Verma module V¯(ϕ) and the e-character of the irreducible highest weight C-module V(ϕ) when the highest weight ϕ satisfies some natural conditions. Furthermore, we give the classification of the Harish-Chandra C-modules with nontrivial central charge.

Influence of Flow-Induced Polymorphism and Fiber Morphology on Mechanical Behavior in Long Discontinuous Glass Fiber Polyamide Composites

This study investigates the combined flow-induced crystallization in the polymer and fiber reorientation during compression molding of a long discontinuous glass fiber polyamide (PA 6) composite. The composite is molded from an organosheet (a semi-finished pre-impregnated mat); the composite anisotropic tensile properties are evaluated as a function of polymer crystalline morphology and fiber orientation state, both controlled by the extent of material flow in the mold. To study these effects, the full mold coverage and partial center charge of organosheet (OS)-80 %, 60 %, 50 %, and 40 % were compression molded to cause varying anisotropic material flow. Tensile specimens were cut out from the molded plates in the flow and transverse direction and tested to compare their effective tensile properties (modulus and strength). The flow-induced morphological changes in a molded composite at the glass fiber bundle microstructure scale and polymer crystalline phases nano-structure were characterized using optical microscopy and X-ray diffraction, respectively. These morphological changes contributed to the significant change in the tensile strength and modulus; a combined experimental/numerical simulation framework was used to segregate the relative contribution of each factor. Experimentally, the tensile modulus increased in the flow direction from 9.6GPa to 14.9GPa for the specimens produced by full mold coverage and OS-50 % coverage mold, respectively. The tensile strength increased from 162 MPa to 254 MPa for the full and OS-60 % mold coverage. On the contrary, the strength and modulus in the transverse direction to the flow showed a significant drop to 35 MPa and 3GPa, respectively, which was attributed to reduced fiber alignment and anisotropy in the PA6 matrix.

Improving modular bootstrap bounds with integrality

We propose methods that efficiently impose integrality — i.e., the condition that the coefficients of characters in the partition function must be integers — into numerical modular bootstrap. We demonstrate the method with a number of examples where it can be used to strengthen modular bootstrap results. First, we show that, with a mild extra assumption, imposing integrality improves the bound on the maximal allowed gap in dimensions of operators in theories with a U(1)c symmetry at c = 3, and reduces it to the value saturated by the SU(4)1 WZW model point of c = 3 Narain lattices moduli space. Second, we show that our method can be used to eliminate all but a discrete set of points saturating the bound from previous Virasoro modular bootstrap results. Finally, when central charge is close to 1, we can slightly improve the upper bound on the scaling dimension gap.

Flexoelectricity Modulated Electron Transport of 2D Indium Oxide.

The phenomenon of flexoelectricity, wherein mechanical deformation induces alterations in the electron configuration of metal oxides, has emerged as a promising avenue for regulating electron transport. Leveraging this mechanism, stress sensing can be optimized through precise modulation of electron transport. In this study, the electron transport in 2D ultra-smooth In2O3 crystals is modulated via flexoelectricity. By subjecting cubic In2O3 (c-In2O3) crystals to significant strain gradients using an atomic force microscope (AFM) tip, the crystal symmetry is broken, resulting in the separation of positive and negative charge centers. Upon applying nano-scale stress up to 100nN, the output voltage and power values reach their maximum, e.g. 2.2mV and 0.2pW, respectively. The flexoelectric coefficient and flexocoupling coefficient of c-In2O3 are determined as ≈0.49nCm-1 and 0.4V, respectively. More importantly, the sensitivity of the nano-stress sensor upon c-In2O3 flexoelectric effect reaches 20nN, which is four to six orders smaller than that fabricated with other low dimensional materials based on the piezoresistive, capacitive, and piezoelectric effect. Such a deformation-induced polarization modulates the band structure of c-In2O3, significantly reducing the Schottky barrier height (SBH), thereby regulating its electron transport. This finding highlights the potential of flexoelectricity in enabling high-performance nano-stress sensing through precise control of electron transport.

Laser-written waveguide-integrated coherent spins in diamond

Quantum emitters, such as the negatively charged nitrogen-vacancy center in diamond, are attractive for quantum technologies, such as nano-sensing, quantum information processing, and as a non-classical light source. However, it is still challenging to position individual emitters in photonic structures while preserving the spin coherence properties of the defect. In this paper, we investigate single and ensemble waveguide-integrated nitrogen-vacancy centers in diamond fabricated by femtosecond laser writing followed by thermal annealing. Their spin coherence properties are systematically investigated and are shown to be comparable to native nitrogen-vacancy centers in diamond. This method paves the way for the fabrication of coherent spins integrated within photonic devices.

Creation, Control, and Modeling of NV Centers in Nanodiamonds

AbstractSensing based on Nitrogen‐Vacancy (NV) centers in nanodiamonds (NDs) represents a potentially groundbreaking technology with broad applications. Nevertheless, the optimization of their quantum‐optical properties is still a challenging issue. The present work aims at enhancing and controlling NV centers optical properties in NDs by combining their surface chemistry tuning and proton beam irradiation. Systematic thermal oxidations are carried out to study the evolution of surface chemical groups (IR spectroscopy), as well as their influence on optical properties (photoluminescence spectroscopy, PL decay measurements). Proton irradiation is performed by exploring a wide range of fluences (1014 – 1017 cm−2) in order to precisely control the amount of NV centers, thus defining the conditions that maximize their creation and emission intensity. In addition, NV centers charge state control is achieved by assessing NV−/NV0 ratio upon different surface termination tuning and NV centers amount. Finally, a novel predictive mathematical model is developed, allowing for the evaluation of the efficiencies of the formation of both NV− and NV0. Although the model is tested in the specific case study with proton irradiated NDs, it offers a broad applicability, thus representing a key landmark in the prediction of the outcome of ion‐beam‐based color centers generation in diamond.

Blast wave interaction during explosive detonation in a variable cross-sectional charge

Purpose. The research aims to assess the efficiency and performance of solid media destruction in directed blasting of a charge with variable cross-sectional shape. Methods. Numerical modelling of the blast wave interaction process is performed using the finite element method based on the Euler-Lagrange algorithm. The Johns-Wilkins-Lee equation of state is used to determine the pressure-volume dependences of medium destruction. Assessment of solid medium destruction mechanism during a directed blasting of a charge with variable cross-sectional shape is carried out based on polarization-optical method on models made of optically active material. Findings. Experimental studies of solid medium destruction by the action of directed blasting with a variable cross-section charge made it possible to determine the direction of blast wave propagation and its amplitude in stress wave, influencing the intensity of radial crack network formation in superposition areas, and directed perpendicularly to explosive cavity. At the same time, the average peak pressure in collision zone of two shock waves in centre of spherical cavity is approximately 1.48 and 1.84 times higher than that in weakly blast-loaded areas. It has been found that when two shock waves collide and superimpose on each other, the intensity of their impact increases. Moreover, the shock wave velocity in collision zone is higher than that of the radial shock wave. Originality. It has been determined that the maximum pressure values on the explosive cavity wall at the initiation points sharply increase and then gradually stabilize as the blast stress waves propagate and have an arbitrary distribution pattern. Three areas should be considered: not superimposed, weakly superimposed, and strongly superimposed. At each point of detonation, the pressure on explosive cavity wall will be minimal, while in the charge centre in the spherical insert zone, on the contrary, it will be maximal. In this case, the pressure in the central superposition area is about 2.84 times greater than at the initiation ends, and the nature of distribution changes according to a linear dependence. Practical implications. The performed research findings can serve as a basis for development of effective parameters of resource-saving methods for stripping hard rocks of complex structure in the conditions of ore mines.

Boundary-induced transitions in Möbius quenches of holographic BCFT

Boundary effects play an interesting role in finite-size physical systems. In this work, we study the boundary-induced properties of 1+1-dimensional critical systems driven by inhomogeneous Möbius-like quenches. We focus on the entanglement entropy in BCFTs with a large central charge and a sparse spectrum of low-dimensional operators. We find that the choice of boundary conditions leads to different scenarios of dynamical phase transitions. We also derive these results in a holographic description in terms of intersecting branes in AdS3, and find a precise match.

Hints to lightning breakdown enhancement for synthetic ester insulating oil: Unraveling the impact of molecular chain length on electron structural parameters under electric field stress

The high flash point and biodegradability of synthetic ester insulating oil offer transformers both operational stability and environmental protection. However, its poor lightning breakdown characteristics under long oil gaps and inhomogeneous electric field often lead to rapid streamer discharges, posing challenges and limits to the use of synthetic ester insulating oil and hinders the development of low-carbon, eco-friendly high voltage power transformers. To address this issue, we propose improving the lightning breakdown characteristics through molecular chain length design. Using density functional theory, time-dependent density functional theory, and wave function analysis, we investigate how microscopic factors like molecular polarity, discharge active sites, frontier orbitals, traps, ionization and electron affinity, and excitation processes influence macroscopic discharge characteristics. Our findings show that under an electric field, chain length is positively correlated with electron transfer, enhancing charge polarization. Chain length also correlates positively with dipole moment, facilitating the formation of space charge centers. While chain length minimally affects discharge active sites, the electric field can intensify their formation. Additionally, a longer chain length decreases the energy gap, increasing electron trap levels more than hole trap levels, thus capturing charges longer. Chain length is negatively correlated with ionization energy, promoting electron impact ionization, and has little effect on the excitation energy of S(0) → S(1), making excitation under high electric fields unlikely.

Unveiling chiral states in the XXZ chain: finite-size scaling probing symmetry-enriched c = 1 conformal field theories

We study the low-energy properties of the one-dimensional spin-1/2 XXZ chain with time-reversal symmetry-breaking pseudo-scalar chiral interaction and propose a phase diagram for the model. In the integrable case of the isotropic Heisenberg model with the chiral interaction, we employ the thermodynamic Bethe ansatz to find “chiralization”, the response of the ground state versus the strength of the pseudo-scalar chiral interaction of a chiral Heisenberg chain. Unlike the magnetization case, the chirality of the ground state remains zero until the transition point corresponding to critical coupling αc = 2J/π with J being the antiferromagnetic spin-exchange interaction. The central-charge c = 1 conformal field theories (CFTs) describe the two phases with zero and finite chirality. We show for this particular case and conjecture more generally for similar phase transitions that the difference between two emergent CFTs with identical central charges lies in the symmetry of their ground state (lightest weight) primary fields, i.e., the two phases are symmetry-enriched CFTs. At finite but small temperatures, the non-chiral Heisenberg phase acquires a finite chirality that scales with the temperature quadratically. We show that the finite-size effect around the transition point probes the transition.

Modularity in Argyres-Douglas theories with a = c

We consider a family of Argyres-Douglas theories, which are 4D N\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$ \\mathcal{N} $$\\end{document} = 2 strongly coupled superconformal field theories (SCFTs) but share many features with 4D N\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$ \\mathcal{N} $$\\end{document} = 4 super-Yang-Mills theories. In particular, the two central charges of these theories are the same, namely a = c. We derive a simple and illuminating formula for the Schur index of these theories, which factorizes into the product of a Casimir term and a term referred to as the Schur partition function. While the former is controlled by the anomaly, the latter is identified with the vacuum character of the corresponding chiral algebra and is expected to satisfy the modular linear differential equation. Our simple expression for the Schur partition function, which can be regarded as the generalization of MacMahon’s generalized sum-of-divisor function, allows one to numerically compute the series expansions efficiently, and furthermore find the corresponding modular linear differential equation. In a special case where the chiral algebra is known, we are able to derive the corresponding modular linear differential equation using Zhu’s recursion relation. We further study the solutions to the modular linear differential equations and discuss their modular transformations. As an application, we study the high temperature limit or the Cardy-like limit of the Schur index using its simple expression and modular properties, thus shedding light on the 1/4-BPS microstates of genuine N\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$ \\mathcal{N} $$\\end{document} = 2 SCFTs with a = c and their dual quantum gravity via the AdS/CFT correspondence.

The synergistic anti‐corrosion performance and mechanism of meso‐tetra(4‐carboxyphenyl)porphine on steel bars in alkaline environments

AbstractCorrosion protection of steel bars in alkaline concrete environments poses a common challenge in marine engineering. One approach to mitigate steel bar corrosion is the addition of corrosion inhibitors to the concrete. In alkaline environments, the passivation of rebars occurs through anodic passivation coupled with the cathodic oxygen reduction reaction (ORR). The catalysis of ORR can expedite anode passivation. To investigate the corrosion inhibition of steel bars in alkaline environments, meso‐tetra(4‐carboxyphenyl)porphine (TCPP), known for its ORR catalytic properties, is selected. TCPP forms adsorption films on the surface of steel bars, facilitating the formation of passivation films. TCPP primarily adsorbs onto active sites on the surface of the passivation film, where lattice iron ions have leached. The adsorbed TCPP accelerates the formation of the passivation film through ORR catalysis, inhibiting the development of passivation film defects and enhancing the integrity and protection of the passivation film. The most significant effect is observed when the concentration of TCPP is 0.5 mmol/L. The physical adsorption of TCPP is primarily determined by the negative charge centers, namely the carboxyl group O and the pyrrole N. However, due to steric hindrance caused by the unrestricted rotation of the carboxyl benzene, the pyrrole N does not play a dominant role in chemical adsorption. Instead, the active site for chemical adsorption is the carboxyl group O. The adsorption process significantly reduces the diffusion coefficient of TCPP molecules, providing a robust and stable adsorption binding. Phthalocyanine molecules without carboxyl benzene groups adopt a planar structure, allowing them to form stable adsorption configurations on the iron surface through flat adsorption. This observation provides guidance for the design of novel metal phthalocyanine molecules. Specifically, the development of metal phthalocyanine molecules with modifying groups that are coplanar with the phthalocyanine ring and possess restricted rotation can achieve flat adsorption, improve coverage rate, and enhance adsorption configuration stability.

Quantum $\operatorname{SL}(2)$ and logarithmic vertex operator algebras at $(p,1)$-central charge

We provide a ribbon tensor equivalence between the representation category of small quantum \operatorname{SL}(2) , at parameter q=e^{\pi i/p} , and the representation category of the triplet vertex operator algebra at integral parameter p>1 . We provide similar quantum group equivalences for representation categories associated to the Virasoro and singlet vertex operator algebras at central charge c=1-6(p-1)^{2}/p . These results resolve a number of fundamental conjectures coming from studies of logarithmic CFTs in type A_{1} .

Shape Self-Adaptive Liquid Embolic Agent for Ultrafast and Durable Vascular Embolization.

Minimally invasive embolization greatly decreases the mortality resulting from vascular injuries while still suffering from a high risk of recanalization and systematic thrombosis due to the intrinsic hydrophobicity and poor adhesion of the clinically used liquid embolic agent of Lipiodol. In this study, a shape self-adaptive liquid embolic agent was developed by mixing biocompatible poly(acrylic acid) (PAA), two-dimensional magnesium-aluminum layered double hydroxide (LDH), and poly(ethylene glycol)200 (PEG200). Upon contact with blood, the injectable PAA-LDH@PEG200 would quickly absorb water to form an adhesive and mechanically strong PAA-LDH thin hydrogel within 5 s, which could firmly adhere to the blood vessel wall for ultrafast and durable embolization. In addition, benefiting from the "positively charged nucleic center effect" of LDH nanosheets, the liquid PAA-LDH@PEG200 could avoid vascular distension by PAA overexpansion and possess high shock-resistant mechanical strength from the blood flow. Furthermore, both in vitro and in vivo embolization experiments demonstrated the complete embolic capacity of liquid PAA-LDH@PEG200 without the occurrence of recanalization for 28 days and also the great potential to act as a platform to couple with chemotherapeutic drugs for the minimized transcatheter arterial chemoembolization (TACE) treatment of VX2 tumors without recurrence for 18 days. Thus, liquid PAA-LDH@PEG200 developed here possesses great potential to act as a shape self-adaptive liquid embolic agent for ultrafast and durable vascular embolization.

Holographic timelike entanglement entropy from Rindler method* *Supported partially by the National Natural Science Foundation of China (12175008)

For a Lorentzian invariant theory, the entanglement entropy should be a function of the domain of dependence of the subregion under consideration. More precisely, it should be a function of the domain of dependence and the appropriate cut-off. In this study, we refine the concept of cut-off to make it applicable to timelike regions and assume that the usual entanglement entropy formula also applies to timelike intervals. Using the Rindler method, the timelike entanglement entropy can be regarded as the thermal entropy of the CFT after the Rindler transformation plus a constant , where c denotes the central charge. The gravitational dual of the 'covariant' timelike entanglement entropy is presented following this method.