Articles published on Static disorder
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- Research Article
3
- 10.1038/s41563-026-02567-w
- Apr 27, 2026
- Nature materials
- Weidong Zhang + 13 more
Coupled ion-electron interfacial reactivities on electroactive particles are complex and crucial to various battery chemistries and dynamics, yet direct visualization of these reactions remains elusive despite advances in operando imaging. Here we report ion-localization optical nanoscopy (ION) with single-ion, subparticle resolution that distinguishes microscopic static and dynamic disorder in ion-generation interfacial reactivity, offering nondestructive, real-time, non-equilibrium insights. We uncover diverse stripping dynamics of zinc anodes, revealing unexpected subparticle-level heterogeneity and challenging conventional views of uniform stripping on (002)-textured zinc. Mesoscale functional descriptors-intraparticle diffusive and electronic coupling strengths-that govern overall stripping uniformity are identified by ION, supported by computational methods and validated by in situ single-particle manipulation. Imaging-derived insights are further translated into ensemble-level strategies enabling exceptional anode reversibility. ION is cost-effective, high-throughput and broadly applicable to myriad ion-participated interfacial processes, including cathode (de)intercalation, solid-electrolyte interphase evolution, ion exchange and catalyst restructuring.
- Research Article
- 10.1021/acs.jpclett.6c00164
- Apr 16, 2026
- The journal of physical chemistry letters
- Shun Arai + 2 more
Photosynthetic light harvesting proceeds rapidly and robustly through precisely arranged pigment molecules. However, the molecular arrangements are not uniform because they exhibit structural heterogeneity among individual complexes and across spatial regions and undergo dynamic fluctuations. Such static and dynamic disorder can substantially perturb excitation dynamics. Here, we report a highly sensitive transient absorption microscope that integrates single-objective absorption microscopy, balanced detection, and lock-in amplification, enabling the quantitative analysis of heterogeneity and temporal fluctuations in excitation dynamics. By analyzing individual chlorophyll-derivative aggregates mimicking photosynthetic light-harvesting antennas, we demonstrated that two kinetic components with nearly identical time constants can be resolved based on differences in their time-constant distributions. We further quantified the photophysical properties of each component, including the absorbance change, fluorescence intensity, fluorescence efficiency, and fluorescence peak intensity ratio. These results establish an analytical framework for excitation dynamics that leverages not only the mean values of time constants but also their distribution profiles.
- Research Article
- 10.1021/acsami.5c25852
- Apr 15, 2026
- ACS applied materials & interfaces
- Aomar Ezza + 7 more
This work presents a temperature-dependent micro-Raman spectroscopy study (300-573 K) of homoepitaxial n-type GaN layers with different Si doping levels ranging from 1015 to a few 1018 cm-3, where the analysis of different vibrational modes enables simultaneous extraction of structural and electronic properties. The evolution of the E2(high) mode and the associated phonon correlation length with doping and temperature reveal progressive lattice disorder, allowing static disorder related to dopant incorporation to be distinguished from dynamic disorder arising from phonon interactions. In parallel, the A1(LO) mode highlights the Fano interaction between the discrete phonon and the electron continuum, where the asymmetry parameter provides access to the Fermi level EF position. At 300 K, the energy separation between the conduction band and EF decreases from ∼0.19 eV for the lightly doped sample to ∼0.03 eV for the heavily doped sample. At 573 K, this distance increases to ∼0.43 eV and ∼0.08 eV, respectively, reflecting the temperature-dependent shift of the chemical potential. These results confirm both efficient dopant activation and the transition toward quasi-degenerate behavior at high carrier concentrations. Finally, analysis of A1(LO) phonon-plasmon coupling within the LPP model allows the determination of carrier mobility as a function of doping and temperature: at 300 K, the mobility decreases from 916 cm2/V·s in lightly doped samples to 355 cm2/V·s in heavily doped layers, with further reductions at elevated temperatures due to thermally activated scattering and carrier redistribution. These results demonstrate that Raman spectroscopy is a powerful nondestructive tool to simultaneously assess electronic transport properties and crystalline disorder in vertical GaN-based power electronics.
- Research Article
- 10.3389/fpsyg.2026.1775635
- Mar 25, 2026
- Frontiers in psychology
- Stefan Bogaerts + 6 more
Forensic psychiatry is characterized by highly complex case presentations, where co-morbidity, fluctuating symptoms, and elevated risk of disruptive behavior are central concerns. Traditional categorical diagnostic models, such as the Diagnostic and Statistical Manual of Mental Disorders, Fifth Edition (DSM-5), often fail to capture this clinical complexity. This article introduces an integrated framework that synthesizes three perspectives: complexity theory, transdiagnostic models, and network analysis. Using a hypothetical yet realistically constructed case (Mark), we demonstrate how these approaches can collectively lead to a richer clinical conceptualization and a more effective treatment strategy. Complexity theory offers a dynamic lens through which symptoms are understood as emergent patterns within a feedback-sensitive system. The transdiagnostic approach shifts the focus toward cross-cutting psychological processes, such as emotion regulation and impulsivity, that often constitute the core of psychopathological issues. Network analysis further elucidates the interrelations between symptoms and processes and highlights central or "bridge" symptoms as potential focal points for intervention. Two conceptual network models of Mark's symptoms and underlying mechanisms illustrate how this integrated approach can enhance both diagnostic clarity and therapeutic precision. Instead of a fragmented treatment plan based on multiple discrete diagnoses, a coherent systemic perspective is established, guiding prioritization and clinical monitoring. The discussion addresses the added value, practical applications, ethical considerations, and implementation challenges of this approach, particularly in forensic psychiatric contexts. This integrated conceptualization holds promise for renewing forensic diagnostics and treatment paradigms, shifting from static disorder classification to dynamic, person-centered networks.
- Research Article
- 10.17650/1818-8338-2025-19-4-k767
- Mar 17, 2026
- The Clinician
- Aleksandr E Barulin + 2 more
The relevance of neurorehabilitation research is determined by the high incidence of acute cerebrovascular pathologies, as well as the increasing risk of disability due to residual impairment after a stroke. Severe motor impairment in the limbs, static and gait disorders, and decreased intellectual and memory functions significantly reduce the quality of life of patients and increase the demand for rehabilitation services. The work considers the fundamental principles of neurorehabilitation: early initiation, comprehensiveness, consistency, interdisciplinary approach, and the appropriate combination of drug and non-drug therapies. The main approaches to motor rehabilitation for patients after a stroke are described in detail, and key areas for stroke recurrence prevention are highlighted. Physical rehabilitation methods include kinesitherapy, occupational therapy, gait training, mechanotherapy, neurodevelopment techniques, and motor control restoration using robotic devices based on biofeedback. Various physiotherapeutic approaches (massage, manual therapy, acupuncture, cryotherapy, magnetic and electrical stimulation technologies) are used as adjunctive methods to enhance the effectiveness of motor rehabilitation. Medicines and rehabilitation methods are presented through the prism of evidence-based medicine. Particular importance is given to the correction of cognitive disorders, since their preservation directly affects the success of recovery. Cognitive rehabilitation includes the use of external compensatory strategies, metacognitive training, environmental adaptation with scanning training and multisensory stimulation methods, speech exercises, as well as various computer programs and paper-based methods with training in concentration, rapid selection and switching of attention. The mechanism of action and proven efficacy of choline alfoscerate (Cereton), a multifunctional drug, are demonstrated; its use as part of a comprehensive rehabilitation program significantly improves patients’ cognitive state and enhances their adaptive capacity.
- Research Article
- 10.1021/jacs.6c00023
- Mar 11, 2026
- Journal of the American Chemical Society
- Amiya Paul + 2 more
Tuning the density of paramagnetic spin centers (PSCs) in π-conjugated systems enables controllable magnetism, coherent spin transport, and molecular spin qubits, thereby opening new frontiers in metal-free quantum magnetism and spintronic technologies. Here, we investigate how key quantum-mechanical and structural parameters govern the balance between spin pairing and unpaired spin density in sp2-carbon-conjugated systems. A modified Hubbard-style Hamiltonian that incorporates electrostatic interactions and static disorder combined with combinatorial analysis and Monte Carlo simulations is employed to analyze how spin density can be tuned in linear polymers, two-dimensional (2D) Lieb-type monolayers, and π-stacked 2D Lieb lattices. We find that the interplay among spin-spin repulsion, spin-anion attraction, anion-anion repulsion, π-connectivity, building-block design, and pore geometry collectively determines whether systems favor spin pairing or stabilize unpaired PSCs. Our results show that 2D π-stacked systems can intrinsically suppress spin pairing, thereby enabling enhanced PSC densities relative to 2D monolayers and 1D linear polymers, consistent with experimental observations. Overall, these findings establish a series of robust design principles that can be used to tune PSC concentrations for applications ranging from isolated spin qubits to collective magnetic and spin-transport networks, thereby advancing the rational design of quantum-coherent, metal-free π-conjugated materials.
- Research Article
- 10.1002/adma.202523666
- Mar 3, 2026
- Advanced materials (Deerfield Beach, Fla.)
- Guangchao Han + 2 more
Reducing the energetic disorder is crucial to improve the efficiencies of organic photovoltaics. Given the high performance of both fused-ring and nonfused-ring A-D-A type acceptors, a fundamental question arises: is a fused-ring D-unit necessary to obtain low energetic disorder? Here, we have systematically investigated the energetic disorder for electrons (described by the standard deviation of the lowest unoccupied molecular orbital (LUMO) energy, σLUMO) in representative fused-ring and nonfused-ring A-D-A type acceptors by combining molecular dynamics simulations with density functional theory calculations. The results point out that the σLUMO is dominated by the dynamic disorder for both fused-ring and nonfused-ring systems. Moreover, for all these acceptors, the LUMO is delocalized over the entire molecular backbone, which benefits to reduce the electron-vibration coupling. Consequently, both fused-ring and nonfused-ring systems exhibit low σLUMO values of 48-56 and 50-71 meV, respectively. Compared to the fused-ring systems with similar conjugation lengths, the σLUMO is slightly increased for the nonfused-ring systems due to the extra rotation-induced static disorder. Notably, the σLUMO of the nonfused-ring systems can be effectively reduced by extending the D-units and restricting the conformational rotation. This work provides helpful insights for developing cost-effective nonfused-ring acceptors with low energetic disorder.
- Research Article
- 10.1002/cplu.202500450
- Mar 1, 2026
- ChemPlusChem
- Piotr Wałejko + 5 more
Naturally occurring chromanols, such as α-tocopherol (vitamin E), exhibit diverse biological activities. Their structural complexity, arising from the conformationally labile dihydropyran ring, has prompted extensive research into their conformational behavior. α-Tocopherol O-glycosides are promising vitamin E prodrug candidates, driving research on their synthesis and molecular dynamics (MD). In this work, four chromanyl glucosides were studied. Using crystallography, dynamic nuclear magnetic resonance (DNMR), solid-state NMR (ssNMR), and computational modeling (MD simulations, CASTEP), the conformational effects induced by sugar residues at the C6 position of a vitamin E model compound (2,2,5,7,8-pentamethylchroman-6-ol) in α- and β-orientations were investigated. Despite structural similarities, significant solid-state differences were observed, particularly between the anomers of peracetylated derivative 4, where the α-anomer displayed molecular disorder absent in the β-isomer - suggesting the presence of multiple conformational states in the crystal lattice. Density functional theory calculations confirmed insignificant energy differences (<0.5 kcal/mol) among the four optimized structures of chromanyl 2,3,4,6-tetra-O-acetyl-α-D-glucopyranoside (4α), implying that the coexisting configurations are stabilized by entropy. Gauge-including projector-augmented wave NMR calculations enabled precise ssNMR peak assignments, while MD simulations indicated static crystalline disorder in 4α. This integrated approach provided a detailed structural insight into chromanyl glucosides, advancing understanding of their conformational behavior.
- Research Article
- 10.1021/jacs.5c16903
- Feb 19, 2026
- Journal of the American Chemical Society
- John Ponis + 15 more
Low-dimensional materials manifest structural anisotropy, quantum confinement, and tightly bound excitonic states, which make them attractive building blocks that can be assembled within three-dimensional laterally stitched heterostructures, stacked van der Waals solids, and complex moiré superlattices. Ion intercalation in the galleries between layered materials provides a means of modifying interlayer separation and coupling, but it is also known to drive the shearing of the layers. In this article, we explore the distinct ligand coordination environments afforded by vanadyl oxygens of singular [V4O10] sheets and examine how the size, polarizability, and stoichiometry of Group I cations sandwiched between such layers determine the interlocking of the sheets in stacked structures. Based on the topochemical insertion of alkali-metal ions into the layered λ-V2O5, we identify seven types of guest ion coordination sites discretized into four distinct regimes of interlayer shear in units of half octahedral widths. The coordination preferences of intercalated cations govern how they interlock 2D [V4O10] sheets and engender specific shear conformations. We present evidence that static and dynamic disorder in guest ion arrangement modulate the magnetic structure of the intercalated compounds based on electrostatic polarization, localization of charge and spin density, and lattice distortion. The results illustrate the use of topochemical ion insertion to modulate stacking relationships and magnetic transition characteristics.
- Research Article
- 10.3390/e28020204
- Feb 11, 2026
- Entropy (Basel, Switzerland)
- Lea Gassab + 2 more
Networks of aromatic amino acid residues within microtubules, particularly those formed by tryptophan, may serve as pathways for optical information flow. Ultraviolet excitation dynamics in these networks are typically modeled with effective non-Hermitian Hamiltonians. By extending this approach to a Lindblad master equation that incorporates explicit site geometries and dipole orientations, we track how correlations are generated, routed, and dissipated, while capturing both energy dissipation and information propagation among coupled chromophores. We compare localized injections, fully delocalized preparations, and eigenmode-based initial states. To quantify the emerging quantum-informational structure, we evaluate the L1 norm of coherence, the correlated coherence, and the logarithmic negativity within and between selected chromophore sub-networks. The results reveal a strong dependence of both the direction and persistence of information flow on the type of initial preparation. Superradiant components drive the rapid export of correlations to the environment, whereas subradiant components retain them and slow their leakage. Embedding single tubulin units into larger dimers and spirals reshapes pairwise correlation maps and enables site-selective routing. Scaling to larger ordered lattices strengthens both export and retention channels, whereas static energetic and structural disorder suppresses long-range transport and reduces overall correlation transfer. These findings provide a Lindbladian picture of information flow in cytoskeletal chromophore networks and identify structural and dynamical conditions that transiently preserve nonclassical correlations in microtubules.
- Research Article
- 10.1021/acsomega.5c07725
- Jan 31, 2026
- ACS omega
- Mohamed Bouzidi + 6 more
The search for stable, nontoxic alternatives to lead-based halide perovskites has directed significant attention toward the Cs3Sb2Cl9 compound, a promising lead-free material with a layered crystal structure. In this study, we comprehensively investigate the structural, thermal, optical, vibrational, and electrical properties of high-quality Cs3Sb2Cl9 single crystals. X-ray diffraction (XRD) analysis confirms the formation of a well-crystallized trigonal phase (P-3m1), with lattice parameters consistent with prior reports. Thermogravimetric analysis (TGA) reveals thermal stability up to 321 °C. Optical absorption measurements reveal an indirect bandgap of 2.76 eV and an Urbach energy of 0.37 eV, indicating moderate static disorder and exciton-phonon coupling within the layered 2D framework. Photoluminescence (PL) spectra under dark and illuminated conditions exhibit pronounced intensity enhancement and redshift upon photoexcitation, supported by Voigt profile analysis revealing reduced line widths under illumination. Raman spectroscopy reveals characteristic vibrational modes associated with Sb-Cl bonding, with illumination inducing spectral sharpening and enhanced mode intensities, indicative of dynamic lattice stabilization. Electrochemical impedance spectroscopy (EIS) highlights improved charge transport and reduced recombination losses under illumination, supported by decreased activation energies and suppressed ionic diffusion. These findings reveal a strong interplay between light exposure and charge-lattice dynamics, demonstrating Cs3Sb2Cl9's potential for optoelectronic applications where environmental stability and photophysical responsiveness are critical.
- Research Article
4
- 10.1038/s41567-025-03158-3
- Jan 29, 2026
- Nature physics
- Johannes M Keegstra + 5 more
Cooperative interactions within large protein assemblies are crucial for cellular information processing. However, direct observations of cooperative transitions have been limited to compact molecular assemblies. Here, we report in vivo FRET measurements of spontaneous discrete-level transitions in the activity of an entire Escherichia coli chemosensory array — an extensive membrane-associated assembly comprising thousands of molecules. Finite-size scaling analysis of the temporal statistics by a two-dimensional conformational spread model revealed nearest-neighbor coupling strengths within 3% of the Ising phase transition, indicating that chemosensory arrays are poised at criticality. We also show how E. coli exploits both static and dynamic disorder, arising from chemoreceptor mixing and sensory adaptation, respectively, to temper the near-critical dynamics. This tempering eliminates detrimental slowing of the response while retaining substantial signal gain and an ability to modulate physiologically relevant signal noise. These results identify near-critical cooperativity as a design principle for balancing the inherent tradeoff between response amplitude and response speed in higher-order signaling assemblies.
- Research Article
- 10.1063/5.0314710
- Jan 28, 2026
- The Journal of chemical physics
- William Barford
The temperature dependence of dynamical properties (e.g., the asymptotic diffusion coefficient and the subdiffusive exponent) is calculated for charges and excitons in one-dimensional systems subject to static and dynamic disorder. These properties are determined by three complementary methods. One approach is based on the time integration of the velocity autocorrelation function. The second approach is based on the mean-squared displacement of thermal wave packets subject to stochastic collapse via Lindblad jump operators. These two methods are applicable in the high-temperature regime, where the noise is temporally uncorrelated. In this regime, the noise causes particle localization, and the transport is diffusive. The third approach-applicable in the low-temperature regime-is weak-coupling Redfield theory. Here, static disorder causes Anderson localization. When the dynamics is diffusive, the diffusion coefficient is a nonmonotonic function of temperature, increasing with temperature in the low-temperature Environment-Assisted Quantum Transport (ENAQT) regime and decreasing with temperature in the high-temperature Quantum-Zeno (QZ) regime. For any temperature, static disorder decreases the diffusion coefficient. Increasing the dephasing factor increases the diffusion coefficient in the ENAQT regime, whereas the diffusion coefficient decreases in the QZ regime. The dynamics is nondiffusive for thermal energies deep within the manifold of local ground states, where the subdiffusive exponent decreases with increasing disorder and decreasing temperature.
- Research Article
- 10.1103/y49y-7vhp
- Jan 27, 2026
- Physical Review Research
- Anonymous
We use the transfer tensor method to analyze localization and transport in simple disordered systems, specifically the Anderson and Aubry-André-Harper models. Emphasis is placed on the memory effects that emerge when ensemble-averaging over disorder, even when individual trajectories are strictly Markovian. We find that transfer tensor memory effects arise to remove fictitious terms that would correspond to redrawing static disorder at each time step, which would create a temporally uncorrelated dynamic disorder. Our results show that while eternal memory is a necessary condition for localization, it is not sufficient. We determine that signatures of localization and transport can be found within the transfer tensors themselves by defining a metric called “outgoing pseudoflux.” This work establishes connections between theoretical research on dynamical maps and Markovianity and localization phenomena in physically realizable model systems.
- Research Article
- 10.1021/acs.jpclett.5c02943
- Jan 24, 2026
- The journal of physical chemistry letters
- Maxime Hodée + 3 more
Organic molecular crystals have gained significant research attention in recent years due to their intriguing photophysical properties and potential applications in photovoltaic and emissive devices. This growing interest has amplified the need for accurate and robust computational protocols to investigate their photophysical behavior. In this work, we present multiscale computational strategies designed to model the shape and broadening of UV-vis absorption spectra in organic crystalline materials. These protocols enable a quantitative assessment of spectral broadening originating from various sources in typical crystalline polyacenes. Adopting an ab initio approach, we employ self-consistent microelectrostatic embedding and Ewald-based ONIOM models to incorporate structural features and environmental effects as well as contributions from static disorder, excitonic coupling, and vibronic interactions. The developed protocols successfully quantify the spectral broadening, as demonstrated for naphthalene and anthracene crystals. This framework is broadly applicable and offers a reliable foundation for the investigation of a wide range of organic molecular crystals, enabling detailed studies of diverse fluorophores and systems of photophysical relevance.
- Research Article
- 10.1177/19386400251407177
- Jan 20, 2026
- Foot & ankle specialist
- Maurice Bouysset + 10 more
BackgroundThis study aimed to evaluate outcomes after a minimum 5-year follow-up of feet with tarsal tunnel syndrome (TTS) after electroneuromyographic (ENMG) diagnosis and treatment. Possible predictive factors of outcome were sought.MethodsAll patients underwent, at the least, initial clinical evaluation, ENMG diagnosis, ultrasound and medical treatment for TTS. If treatment was unsuccessful after 6 months, tibial nerve release was proposed. Outcomes were classified as satisfactory (excellent and good) or unsatisfactory (fair and poor) based on Pfeiffer's classification.ResultsSeventy-six feet received conservative treatment, with 65% of satisfactory outcomes, rising to 78% in case of additional tibial nerve release (16 feet, 21%, excellent results in 10 of 76 feet). Improvement was insufficient in 14% of feet, but the patients did not consider that surgery was necessary. Five years after medical treatment, outcome was satisfactory in 5 of 8 feet with nerve contact on ultrasound within the tarsal tunnel, and in 9 of 10 feet with isolated talus-nerve contact. Finally, 18% of feet had nerve contact on ultrasonography and a satisfactory outcome after conservative treatment when evaluated after a minimum of 5 years. Results tended to be better in the absence of static disorders (P = .058), hindfoot varus in particular (P = .032), and in women (P = .047).ConclusionsConservative treatment of TTS yielded satisfactory outcomes at 5-year follow-up. Except in rare cases, it should be the first-line treatment even when nerve contact is seen on imaging. Surgical release appeared to be beneficial after failure of medical treatment at 6 months. Outcomes appeared poorer in feet with static disorders and better in women.Levels of Evidence:Therapeutic, Level IV, Retrospective.
- Research Article
1
- 10.1103/zzzc-nqxd
- Jan 20, 2026
- Physical Review A
- Riccardo Aiudi + 7 more
We study the impact of static disorder on a globally-controlled superconducting quantum computing architecture based on a quasi-two-dimensional ladder geometry [R. Menta et al., Phys. Rev. Research 7, L012065 (2025)]. Specifically, we examine how fabrication-induced inhomogeneities in qubit resonant frequencies and coupling strengths affect quantum state propagation and the fidelity of fundamental quantum operations. Using numerical simulations, we quantify the degradation in performance due to disorder and identify single-qubit rotations, two-qubit entangling gates, and quantum information transport as particularly susceptible. To address this challenge, we rely on pulse optimization schemes, and, in particular, on the GRAPE (Gradient Ascent Pulse Engineering) algorithm. Our results demonstrate that, even for realistic levels of disorder, optimized pulse sequences can achieve high-fidelity operations, exceeding 99.9% for the three quantum operations, restoring reliable universal quantum logic and robust information flow. These findings highlight pulse optimization as a powerful strategy to enhance the resilience to disorder of solid-state globally-driven quantum computing platforms.
- Research Article
- 10.2138/am-2025-10029
- Jan 16, 2026
- American Mineralogist
- G Diego Gatta + 5 more
Abstract The chemical composition (by EPMA-WDS and SIMS) and the crystal structure (by single-crystal X-ray diffraction at 293 K and neutron diffraction at 20 K) of berborite-2T from the Saga II quarry at Auenlandet, Larvik plutonic complex in southern Norway, were investigated. Chemical and crystallographic data confirm the general mineral formula of berborite: Be2(BO3)(OH)·H2O. F and Cl content (as potential substituents of the OH-group) was found to be below the detection limit of EPMA-WDS, and the average content of the other measured elements (i.e., Na, K, Ca, Mg, Fe, and S) is lower than 600 wt. ppm per equivalent oxide, and probably ascribable to micro-inclusions of other mineral species, rather than to elements replacing B or Be in berborite structure. Excluding B and Be, both considered as “critical elements” for the modern technology, berborite does not contain other industrially-relevant elements. The measured 11B/9Be ratio of berborite by SIMS was consistent with the expected value of the ideal formula (i.e., 1B : 2Be a.p.f.u). X-ray and neutron refinements confirm the previously reported general structural model of berborite-2T, built up by two layers made by regular (as governed by the 3-fold axes) corner-sharing triangular BO3-units and tetrahedral BeO3Φ (Φ = OH, H2O) units, mutually connected to give electron-neutral [(BO3)Be2Φ2]-layers. The Φ-groups (i.e., hydroxyls or H2O molecules) represent the out-of-plane apices of the tetrahedra, and the special position of the O sites on the triad implies a statistical occupancy of the Φ-groups (i.e. , 1/3 OH and 2/3 H2O). Subsequent electron-neutral [(BO3)Be2Φ2]-layers are mutually connected only by H-bonds. The statistical occupancy of the H sites leads to a complex configuration of the H-bonding network, here described on the basis of the neutron diffraction data. The calculation of the difference-Fourier maps of the nuclear density function and the application of the Maximum Entropy Method to the experimental data consistently rule out dynamic disorder of the H sites, confirming the occurrence of a static disorder of the protons in the structure of berborite-2T, at least at 20 K.
- Research Article
- 10.1103/ctfx-43dg
- Jan 13, 2026
- Physical Review Research
- Anonymous
Angle-resolved photoemission spectroscopy (ARPES) is a widely used characterization technique in condensed matter physics, providing direct access to the single-electron spectral function of crystals, including their electronic band structure and Fermi surface. Measuring the band structure of novel quantum materials has been fundamentally important for determining, for example, nontrivial band topology, as in topological insulators, Weyl semimetals, and Dirac semimetals, or for identifying new classes of materials, such as altermagnets. A key challenge with these emerging quantum materials is that their initial crystalline quality is rarely optimized, which directly affects the spectra measured by ARPES. Here, we present a theoretical framework and experimental evidence addressing two common consequences of static disorder in photoemission experiments: the loss of coherent spectral weight and the broadening of spectral features. ARPES spectra can be understood as a sum of coherent and incoherent intensities, with their relative contributions controlled by atomic disorder and electron correlation effects. For disorder caused by phonons, the coherent intensity is exponentially suppressed as temperature increases, a phenomenon analogous to the Debye-Waller factor in diffraction, where Bragg peaks diminish in favor of diffuse scattering as disorder increases. In this work, we report a soft-x-ray study of the deliberately disordered (via Ar ion sputtering) InAs(110) surface, characterized by scanning tunneling microscopy, scanning tunneling spectroscopy, and low-energy electron diffraction. We introduce a framework that enables quantification of coherent photoemission intensity loss with increasing disorder, allowing both thermal and static disorder to be treated within a unified approach. Additionally, we identify a second major effect of disorder beyond lifetime broadening: inhomogeneous spectral broadening arising from local potential fluctuations. We show that such fluctuations increase the linewidths of the spectra of localized and delocalized states and contribute to the suppression of ARPES intensity from states near the Fermi level. The concepts and analysis methods presented should make ARPES useful for direct diagnosis of disorder effects on electronic states, for science as well as engineering.
- Research Article
- 10.1039/d5cp04936a
- Jan 1, 2026
- Physical chemistry chemical physics : PCCP
- Chong Li
Because exciton transport is important in thick-film organic solar cells (OSCs), we theoretically investigated intramolecular exciton transport along polymer chains by considering two types of intramolecular disorder-static and dynamic-each of which include both diagonal and off-diagonal disorders. The results demonstrate that static diagonal disorder (SDD) has a minor impact on exciton transport, while large static off-diagonal disorder (SOD) can result in barriers that hinder, or even terminate, exciton transport to form a trapped exciton state. Moreover, both dynamic diagonal disorder (DDD) and dynamic off-diagonal disorder (DOD) are found to be favorable to exciton transport. Importantly, DOD exhibits the ability to help the trapped exciton state to overcome the binding potential barriers derived from SOD. These results provide valuable insights into developing high-efficiency thick-film OSCs.