2025 New's Items

Revealing the electronic structure of the current-induced metastable state in 1T-TaS2

Maximilian Huber
Summer Zuber
Valeria Rosa-Rocha
Shannon C. Haley
Nicholas Dale
Luca Moreschini
Dung-Hai Lee
Aaron Bostwick
Chris Jozwiak
James G. Analytis
Alessandra Lanzara
2025

Among the key features for next-generation memory devices is the need for high-contrast switching between metallic and insulating states with fast switching speed and long lifetime. However, materials exhibiting such properties are rare, and their electronic structure is often poorly understood. Here, by combining state-of-the-art devices with angle-resolved photoemission spectroscopy, we study the emergence of a metastable metallic state from the insulating ground state in the charge-density wave (CDW) material 1T-TaS2 after applying short current pulses....

Entanglement Randomness and Gapped Itinerant Carriers in a Frustrated Quantum Magnet

Yuanqi Lyu
Luke Pritchard Cairns
Josue Rodriguez
Chunxiao Liu
Kenneth Ng
John Singleton
James G. Analytis
2025

The quantum spin liquid is a state manifesting extraordinary many-body entanglement, and the material NaYbSe2 is thought to be one of the most promising candidates for its realization. Through low-temperature heat capacity and thermal conductivity measurements, we identify an apparent contradiction familiar to many quantum spin liquid candidates: While entropy is stored by apparently gapless excitations, the itinerant carriers of entropy are gapped. By studying the compositional series NaYbxLu1−xSe2 across a percolation transition of the magnetic lattice, we...

Nanoscale Structure and Interfacial Electrochemical Reactivity of Moiré-Engineered Atomic Layers

Madeline Van Winkle
Kaidi Zhang
D. Kwabena Bediako
2025

The electronic properties of atomically thin van der Waals (vdW) materials can be precisely manipulated by vertically stacking them with a controlled offset (for example, a rotational offset─i.e., twist─between the layers, or a small difference in lattice constant) to generate moiré superlattices. In recent years, the application of this “twistronics” concept to interfacial electrochemistry has unveiled unique pathways for tailoring the electrochemical reactivity. This Account provides an overview of our work that leveraged a suite of structural characterization methods, such as...

Tailored topotactic chemistry unlocks heterostructures of magnetic intercalation compounds

Samra Husremović
Oscar Gonzalez
Berit H. Goodge
Lilia S. Xie
Zhizhi Kong
Wanlin Zhang
Sae Hee Ryu
Stephanie M. Ribet
Shannon S. Fender
Karen C. Bustillo
Chengyu Song
Jim Ciston
Takashi Taniguchi
Kenji Watanabe
Colin Ophus
Chris Jozwiak
Aaron Bostwick
Eli Rotenberg
D. Kwabena Bediako
2025

The construction of thin film heterostructures has been a widely successful archetype for fabricating materials with emergent physical properties. This strategy is of particular importance for the design of multilayer magnetic architectures in which direct interfacial spin-spin interactions between magnetic phases in dissimilar layers lead to emergent and controllable magnetic behavior. However, crystallographic incommensurability and atomic-scale interfacial disorder can severely limit the types of materials amenable to this strategy, as well as the performance of these systems....

Altermagnetism: A Chemical Perspective

Shannon S. Fender
Oscar Gonzalez
D. Kwabena Bediako
2025

Altermagnets have been recently introduced as a classification of collinear, spin compensated magnetic materials that host net-zero magnetization yet display some electronic behaviors typically associated with noncompensated magnetic materials like ferromagnets. The emergence of such properties are a consequence of spin-split bands that arise under specific symmetry conditions in the limit of zero spin–orbit coupling. In this Perspective, we summarize the fundamental criteria for realizing an altermagnetic phase and present a qualitative electronic band structure derivation and...

Modeling the Superlattice Phase Diagram of Transition Metal Intercalation in Bilayer 2H-TaS2

Isaac M. Craig
B. Junsuh Kim
Shannon S. Fender
Philipp Letman
Sadie M. Asker
David T. Limmer
D. Kwabena Bediako
Sinéad M. Griffin
2025

Van-der-Waals hosts intercalated with transition-metal (TM) ions exhibit a range of magnetic properties strongly influenced by the structural order of the intercalants. However, predictive computational models for the intercalant ordering phase diagram are lacking, complicating experimental pursuits to target key structural phases. Here we use density functional theory (DFT) to construct a pairwise lattice model and Monte Carlo to determine its associated thermodynamic phase diagram. To circumvent the complexities of modeling magnetic effects, we use the diamagnetic ions Zn...

The Role of Nanoscience in Energy Research

Kwabena Bediako
Raffaella Buonsanti
Raymond E. Schaak
Nanfeng Zheng
2025

Progress in many energy technologies critically depends on the ability to design and realize materials with optimal properties. These energy technologies include solar cells, batteries, optoelectronic devices, and catalysis, as well as information and communication technologies that are rapidly becoming the dominant consumer of electrical energy. Many of these energy technologies are based on, or benefit from, nanoscale materials and phenomena. For example, the density of catalytic active sites per gram of material is maximized when the catalytic material has...

Computational design of polaronic conductive Li-NASICON mixed ionic–electronic conductors

Jiawei Lin
KyuJung Jun
Gerbrand Ceder
2025

Li-NASICONs featuring three-dimensional corner-sharing frameworks have been experimentally and theoretically demonstrated to be fast Li-ion conductors, with high room-temperature ionic conductivities. In this study, we conduct first-principles calculations to investigate the polaronic conduction in Li-NASICONs comprising different transition metal (TM) elements (Ti, V, Cr, Mn, Fe, Mo) and evaluate their potential as mixed electron-ion conductors. We find that the electron polaron conductivity of octahedral–octahedral (oct–oct) hopping in Li-NASICONs is strongly correlated with the...

Mechanism of Shape Symmetry Breaking in Surfactant Mediated Crystal Growth

Sam Oaks-Leaf
David T. Limmer
2025

We present a dynamical model of crystal growth, in which it is possible to reliably achieve asymmetric products, beginning from symmetric initial conditions and growing within an isotropic environment. The asymmetric growth is the result of a positive feedback mechanism that amplifies the effect of thermal fluctuations in the coverage of surfactants on the growing crystalline facets. Within our simple model, we are able to understand the kinetic and thermodynamic factors involved in both the onset of symmetry breaking and the persistence of anisotropic growth. We demonstrate that the...

Accelerated Chlorination at the Air-Organic Interface Revealed by Molecular Simulations and Kinetic Modeling

Liron Cohen
Amro Dodin
Kevin R. Wilson
David T. Limmer
2025

An interface is a distinct chemical environment where reactivity can proceed differently than the bulk. Chemical reactions can speed up at air–water interfaces due to the rapidly varying electrostatic environment between highly polar liquid and nonpolar gas phases. Here, we show that reaction acceleration can also occur at nonpolar air–organic interfaces, which are prototypical chemical environments important for understanding atmospheric aerosols, industrial membranes, and biological cells. We examine the uptake dynamics of chlorine gas at the air/squalene interface to better...