1.8k citations
Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.
- University of Colorado BoulderUS112 papers
- Colorado School of MinesUS59 papers
- King's College LondonGB30 papers
- Lawrence Berkeley National LaboratoryUS28 papers
- Fudan UniversityCN17 papers
- Radboud University NijmegenNL15 papers
- Stanford UniversityUS15 papers
- University of MinnesotaUS15 papers
- University of California, BerkeleyUS14 papers
- Colorado State UniversityUS13 papers
- North Carolina State UniversityUS12 papers
- Princeton UniversityUS12 papers
13 papers · 2 filters
Ternary Nitride Semiconductors in the Rocksalt Crystal Structure
Sage R. Bauers, Aaron Holder, Wenhao Sun +10
Inorganic nitrides with wurtzite crystal structures are well-known semiconductors used in optoelectronic devices. In contrast, rocksalt-based nitrides are known for their metallic…
Electron doping of proposed quantum spin liquid kagomé Zn-Cu hydroxyl-halides produces localized states in the band gap
Qihang Liu, Qiushi Yao, Z. A. Kelly +4
Carrier doping of quantum spin liquids is a long-proposed route to the emergence of high-temperature superconductivity. Electrochemical intercalation in kagome hydroxyl-halide mate…
The role of decomposition reactions in assessing first-principles predictions of solid stability
Christopher J. Bartel, Alan W. Weimer, Stephan Lany +2
The performance of density functional theory (DFT) approximations for predicting materials thermodynamics is typically assessed by comparing calculated and experimentally determine…
A Map of the Inorganic Ternary Metal Nitrides
Wenhao Sun, Christopher Bartel, Elisabetta Arca +12
Exploratory synthesis in novel chemical spaces is the essence of solid-state chemistry. However, uncharted chemical spaces can be difficult to navigate, especially when materials s…
XPS on Li-Battery-Related Compounds: Analysis of Inorganic SEI Phases and a Methodology for Charge Correction
Kevin N. Wood, Glenn Teeter
Accurate identification of chemical phases associated with the electrode and solid electrolyte interphase (SEI) is critical for understanding and controlling interfacial degradatio…
Two-level systems and growth-induced metastability in hydrogenated amorphous silicon
M. Molina-Ruiz, H. C. Jacks, D. R. Queen +3
Specific heat measurements from 2 to 300 K of hydrogenated amorphous silicon prepared by hot-wire chemical vapor deposition show a large excess specific heat at low temperature, si…
Static Hopf Solitons and Knotted Emergent Fields in Solid-State Noncentrosymmetric Magnetic Nanostructures
Jung-Shen B. Tai, Ivan I. Smalyukh
Two-dimensional topological solitons, commonly called Skyrmions, are extensively studied in solid-state magnetic nanostructures and promise many spintronics applications. However,…
Ionic vs. van der Waals Layered Materials: Identification and Comparison of Elastic Anisotropy
Robert McKinney, Prashun Gorai, Sukriti Manna +2
In this work, we expand the set of known layered compounds to include ionic layered materials, which are well known for superconducting, thermoelectric, and battery applications. F…
Physical descriptor for the Gibbs energy of inorganic crystalline solids and temperature-dependent materials chemistry
Christopher J. Bartel, Samantha L. Millican, Ann M. Deml +7
The Gibbs energy, G, determines the equilibrium conditions of chemical reactions and materials stability. Despite this fundamental and ubiquitous role, G has been tabulated for onl…
Exciton-Dominated Core-Level Absorption Spectra of Hybrid Organic-Inorganic Lead Halide Perovskites
Christian Vorwerk, Claudia Hartmann, Caterina Cocchi +7
In a combined theoretical and experimental work, we investigate X-ray Absorption Near-Edge Structure (XANES) spectroscopy of the I and the Pb edges of the methylammoniu…
Thermodynamic Stability of Molybdenum Oxycarbides Formed from Orthorhombic Mo2C in Oxygen-rich Environments
S. R. J. Likith, C. A. Farberow, S. Manna +6
Molybdenum carbide (Mo2C) nanoparticles and thin films are particularly suitable catalysts for catalytic fast pyrolysis (CFP) as they are effective for deoxygenation and can cataly…
Metastable rocksalt ZnO is -type dopable
Anuj Goyal, Vladan Stevanović
Despite decades of efforts, achieving -type conductivity in the wide band gap ZnO in its ground-state wurtzite structure continues to be a challenge. Here we detail how -type…
New Tolerance Factor to Predict the Stability of Perovskite Oxides and Halides
Christopher J. Bartel, Christopher Sutton, Bryan R. Goldsmith +4
Predicting the stability of the perovskite structure remains a longstanding challenge for the discovery of new functional materials for many applications including photovoltaics an…