My Customized Papers (Auto-Filtered)

[ScienceDirect Publication: Journal of Catalysis] Protonation dynamics of confined ethanol–water mixtures in H-ZSM-5 from machine learning-driven metadynamics

ScienceDirect Publication: Journal of Catalysis — Mon, 29 Dec 2025 18:30:33 GMT

Publication date: February 2026

Source: Journal of Catalysis, Volume 454

Author(s): Princy Jarngal, Benjamin A. Jackson, Simuck F. Yuk, Difan Zhang, Mal-Soon Lee, Maria Cristina Menziani, Vassiliki-Alexandra Glezakou, Roger Rousseau, GiovanniMaria Piccini

[Wiley: Small: Table of Contents] Enhancing Cycling Stability and Suppressing Lithium Dendrite Formation With A Hierarchical Artificial Solid Electrolyte Interphase Layer on Lithium Anodes for High‐Voltage Lithium Metal Batteries

Wiley: Small: Table of Contents — Mon, 29 Dec 2025 09:13:44 GMT

Small, EarlyView.

[Wiley: Small: Table of Contents] Elucidating the Sigmoidal Adsorption Behavior of Xenon in Flexible Hofmann‐Type MOFs Through Experiments and Molecular Dynamics with Machine Learning Potentials

Wiley: Small: Table of Contents — Mon, 29 Dec 2025 08:31:34 GMT

Small, EarlyView.

[Wiley: Advanced Materials: Table of Contents] Gradient‐Heterojunction in Solid Electrolytes for Fast‐Charging Dendrite‐Free Solid‐State Lithium Metal Batteries

Wiley: Advanced Materials: Table of Contents — Mon, 29 Dec 2025 07:59:12 GMT

Advanced Materials, EarlyView.

[cond-mat updates on arXiv.org] Upper bounds on the separation efficiency of diffusiophoresis

ScienceDirect Publication: Journal of Catalysis — Mon, 29 Dec 2025 18:30:33 GMT

Publication date: February 2026

Source: Journal of Catalysis, Volume 454

Author(s): Princy Jarngal, Benjamin A. Jackson, Simuck F. Yuk, Difan Zhang, Mal-Soon Lee, Maria Cristina Menziani, Vassiliki-Alexandra Glezakou, Roger Rousseau, GiovanniMaria Piccini

[Wiley: Small: Table of Contents] Enhancing Cycling Stability and Suppressing Lithium Dendrite Formation With A Hierarchical Artificial Solid Electrolyte Interphase Layer on Lithium Anodes for High‐Voltage Lithium Metal Batteries

Wiley: Small: Table of Contents — Mon, 29 Dec 2025 09:13:44 GMT

Small, EarlyView.

[Wiley: Small: Table of Contents] Elucidating the Sigmoidal Adsorption Behavior of Xenon in Flexible Hofmann‐Type MOFs Through Experiments and Molecular Dynamics with Machine Learning Potentials

Wiley: Small: Table of Contents — Mon, 29 Dec 2025 08:31:34 GMT

Small, EarlyView.

[Wiley: Advanced Materials: Table of Contents] Gradient‐Heterojunction in Solid Electrolytes for Fast‐Charging Dendrite‐Free Solid‐State Lithium Metal Batteries

Wiley: Advanced Materials: Table of Contents — Mon, 29 Dec 2025 07:59:12 GMT

Advanced Materials, EarlyView.

[cond-mat updates on arXiv.org] Upper bounds on the separation efficiency of diffusiophoresis

cond-mat updates on arXiv.org — Mon, 29 Dec 2025 05:00:00 GMT

arXiv:2512.21758v1 Announce Type: new Abstract: The separation of colloidal particles from fluids is essential to ensure a safe global supply of drinking water yet, in the case of microscopic particles, it remains a highly energy-intensive process when using traditional filtration methods. Water cleaning through diffusiophoresis $\unicode{x2014}$spontaneous colloid migration in chemical gradients$\unicode{x2014}$ effectively circumvents the need for physical filters, representing a promising alternative. This separation process is typically realized in internal flows where a cross-channel electrolyte gradient drives particle accumulation at walls, with colloid separation slowly increasing in the streamwise direction. However, the maximum separation efficiency, achieved sufficiently downstream as diffusiophoretic migration (driving particle accumulation) is balanced by Brownian motion (inducing diffusive spreading), has not yet been characterized. In this work, we develop a theory to predict this upper bound, and derive the colloid separation efficiency by analyzing the asymptotic structure of the governing equations. We find that the mechanism by which the chemical permeates in the channel, as well as the reaction kinetics governing its dissociation into ions, play key roles in the process. Moreover, we identify four distinct regimes in which separation is controlled by different scaling laws involving a Damk\"ohler and a P\'eclet number, which measure the ratio of reaction kinetics to ion diffusion and of diffusiophoresis to Brownian motion, respectively. We also confirm the scaling of one of these regimes using microfluidic experiments where separation is driven by CO$_\text{2}$ gradients. Our results shed light on pathways towards new, more efficient separations, and are also applicable to quantify colloidal accumulation in the presence of chemical gradients in more general situations.

[cond-mat updates on arXiv.org] Temperature- and Pressure-Dependent Vibrational Properties and Phase Stability of Pristine and Sb-Doped Vacancy-Ordered Double Perovskite

cond-mat updates on arXiv.org — Mon, 29 Dec 2025 05:00:00 GMT

arXiv:2512.21810v1 Announce Type: new Abstract: Understanding lattice dynamics and structural transitions in vacancy-ordered double perovskites is crucial for developing lead-free optoelectronic materials, yet the role of dopants in modulating these properties remains poorly understood. We investigate Sb-doped Cs$_2$TiCl$_6$ through temperature-dependent Raman spectroscopy (4 to 273 K), high-pressure studies (0 to 30 GPa), powder XRD, and photoluminescence measurements. Sb doping dramatically improves phase purity, eliminating all impurity-related Raman modes present in pristine and Bi-doped samples while retaining only the three fundamental [TiCl$_6$]$^{2-}$ octahedral vibrations. This enhanced purity reveals a previously unobserved structural phenomenon: Sb-doped samples (2\% doped and 3\%) incorporated) exhibit a sharp anomaly at 100 K marked by the emergence of a new Raman mode M$_1$ at 314--319 cm$^{-1}$ and abrupt changes in the temperature coefficient $\chi$ (factor of 2--8$\times$ change) and anharmonic constant $A$ across this threshold. No such transition occurs in pristine Cs$_2$TiCl$_6$, indicating Sb-dopant-induced order-disorder transformation. The enhanced phonon anharmonicity in Sb-doped samples directly manifests in photoluminescence: self-trapped exciton emission at 448 nm shows 19\% broader FWHM (164.73 nm) compared to Bi-doped samples (138.2 nm), confirming stronger electron-phonon coupling. High-pressure measurements reveal structural robustness to 30 GPa with no phase transitions. These findings establish that strategic Sb doping not only improves material quality but also enables a novel low-temperature structural transition, providing fundamental insights into dopant-mediated phase control in vacancy-ordered perovskites for next-generation optoelectronic devices.

[cond-mat updates on arXiv.org] Incorporating rank-free coupling and external field via an amplitude-only modulated spatial photonic Ising machine

cond-mat updates on arXiv.org — Mon, 29 Dec 2025 05:00:00 GMT

arXiv:2512.21587v1 Announce Type: cross Abstract: Ising machines have emerged as effective solvers for combinatorial optimization problems, such as NP-hard problems, machine learning, and financial modeling. Recent spatial photonic Ising machines (SPIMs) excel in multi-node optimization and spin glass simulations, leveraging their large-scale and fully connected characteristics. However, existing laser diffraction-based SPIMs usually sacrifice time efficiency or spin count to encode high-rank spin-spin coupling and external fields, limiting their scalability for real-world applications. Here, we demonstrate an amplitude-only modulated rank-free spatial photonic Ising machine (AR-SPIM) with 200 iterations per second. By re-formulating an arbitrary Ising Hamiltonian as the sum of Hadamard products, followed by loading the corresponding matrices/vectors onto an aligned amplitude spatial light modulator and digital micro-mirrors device, we directly map a 797-spin Ising model with external fields (nearly 9-bit precision, -255 to 255) into an incoherent light field, eliminating the need for repeated and auxiliary operations. Serving as encoding accuracy metrics, the linear coefficient of determination and Pearson correlation coefficient between measured light intensities and Ising Hamiltonians exceed 0.9800, with values exceed 0.9997 globally. The AR-SPIM achieves less than 0.3% error rate for ground-state search of biased Max-cut problems with arbitrary ranks and weights, enables complex phase transition observations, and facilitates scalable spin counts for sparse Ising problems via removing zero-valued Hadamard product terms. This reconfigurable AR-SPIM can be further developed to support large-scale machine-learning training and deployed for practical applications in discrete optimization and quantum many-body simulations.