Anomalous properties of spark plasma sintered boron nitride solids

Kavli Affiliate: Xiang Zhang | First 5 Authors: Abhijit Biswas, Peter Serles, Gustavo A. Alvarez, Jesse Schimpf, Michel Hache | Summary: Hexagonal boron nitride (h-BN) is brittle, however, its atomic-scale structural engineering can lead to unprecedented physical properties. Here we report the bulk synthesis of high-density crystalline h-BN solids by using high-temperature spark plasma sintering […]


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Single and Multi-Hop Question-Answering Datasets for Reticular Chemistry with GPT-4-Turbo

Kavli Affiliate: Omar M. Yaghi | First 5 Authors: Nakul Rampal, Kaiyu Wang, Matthew Burigana, Lingxiang Hou, Juri Al-Johani | Summary: The rapid advancement in artificial intelligence and natural language processing has led to the development of large-scale datasets aimed at benchmarking the performance of machine learning models. Herein, we introduce ‘RetChemQA,’ a comprehensive benchmark […]


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Spontaneous Conducting Boundary Channels in 1T-TaS$_{2}$

Kavli Affiliate: Jeffrey B. Neaton | First 5 Authors: T. R. Devidas, Jonathan T. Reichanadter, Shannon C. Haley, Matan Sterenberg, Joel E. Moore | Summary: Materials that transition between metal and insulator, the two opposing states that distinguish all solids, are fascinating because they underlie many mysteries in the physics of the solid state. In […]


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Spontaneous Conducting Boundary Channels in 1T-TaS$_{2}$

Kavli Affiliate: Joel E. Moore | First 5 Authors: T. R. Devidas, Jonathan T. Reichanadter, Shannon C. Haley, Matan Sterenberg, Joel E. Moore | Summary: Materials that transition between metal and insulator, the two opposing states that distinguish all solids, are fascinating because they underlie many mysteries in the physics of the solid state. In […]


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Performance of Superconducting Resonators Suspended on SiN Membranes

Kavli Affiliate: Feng Wang | First 5 Authors: Trevor Chistolini, Kyunghoon Lee, Archan Banerjee, Mohammed Alghadeer, Christian Jünger | Summary: Correlated errors in superconducting circuits due to nonequilibrium quasiparticles are a notable concern in efforts to achieve fault tolerant quantum computing. The propagation of quasiparticles causing these correlated errors can potentially be mediated by phonons […]


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Microscopic origin of twist-dependent electron transfer rate in bilayer graphene

Kavli Affiliate: David T. Limmer | First 5 Authors: Leonardo Coello Escalante, David T. Limmer, , , | Summary: Using molecular simulation and continuum dielectric theory, we consider how electrochemical kinetics are modulated as a function of twist angle in bilayer graphene electrodes. By establishing an effective connection between twist angle and the screening length […]


Continue.. Microscopic origin of twist-dependent electron transfer rate in bilayer graphene

Microscopic origin of twist-dependent electron transfer rate in bilayer graphene

Kavli Affiliate: David T. Limmer | First 5 Authors: Leonardo Coello Escalante, David T. Limmer, , , | Summary: Using molecular simulation and continuum dielectric theory, we consider how electrochemical kinetics are modulated as a function of twist angle in bilayer graphene electrodes. By establishing an effective connection between twist angle and the screening length […]


Continue.. Microscopic origin of twist-dependent electron transfer rate in bilayer graphene

Microscopic origin of twist-dependent electron transfer rate in bilayer graphene

Kavli Affiliate: David T. Limmer | First 5 Authors: Leonardo Coello Escalante, David T. Limmer, , , | Summary: Using molecular simulation and continuum dielectric theory, we consider how electrochemical kinetics are modulated by twist angle in bilayer graphene electrodes. By establishing a connection between twist angle and the screening length of charge carriers within […]


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Electronic and Optical Excitations in van der Waals Materials from a Non-Empirical Wannier-Localized Optimally-Tuned Screened Range-Separated Hybrid Functional

Kavli Affiliate: Jeffrey B. Neaton | First 5 Authors: María Camarasa-Gómez, Stephen E. Gant, Guy Ohad, Jeffrey B. Neaton, Ashwin Ramasubramanian | Summary: Accurate prediction of electronic and optical excitations in van der Waals (vdW) materials is a long-standing challenge for density functional theory. The recently proposed Wannier-localized optimally-tuned screened range-separated hybrid (WOT-SRSH) functional has […]


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Colloidal dispersions of sterically and electrostatically stabilized PbS quantum dots: the effect of stabilization mechanism on structure factors, second virial coefficients, and film-forming properties

Kavli Affiliate: Naomi S. Ginsberg | First 5 Authors: Ahhyun Jeong, Josh Portner, Christian P. N. Tanner, Justin C. Ondry, Chenkun Zhou | Summary: Electrostatically stabilized nanocrystals (NCs) and, in particular, quantum dots (QDs) hold promise for forming strongly coupled superlattices due to their compact and electronically conductive surface ligands. However, studies on the colloidal […]


Continue.. Colloidal dispersions of sterically and electrostatically stabilized PbS quantum dots: the effect of stabilization mechanism on structure factors, second virial coefficients, and film-forming properties