Results 141 to 150 of about 359,528 (286)

Kinetic Insights into Precursor‐Assisted Soft Sphere Close Packing Revealed by In Situ GISAXS with Implications for Gas Sensing

Advanced Functional Materials, EarlyView.
The versatile precursor‐assisted soft sphere close packing during slot‐die coating is investigated with in situ X‐ray scattering. The soft crystallization pathways towards a close packing involve multistep structural transitions such as surface nucleation, in‐plane, and out‐of‐plane crystallization.
Guangjiu Pan, Wenhe Xie, Suzhe Liang, Ting Tian, Shanshan Yin, Lixing Li, Altantulga Buyan‐Arivjikh, Jinsheng Zhang, Thomas Baier, Zhuijun Xu, Matthias Schwartzkopf, Sarathlal Koyiloth Vayalil, Stephan V. Roth, Yonghui Deng, Peter Müller‐Buschbaum   +14 more
wiley   +1 more source

Ab Initio Crystal Structure Prediction of the Energetic Materials LLM-105, RDX, and HMX. [PDF]

Cryst Growth Des, 2023
O'Connor D, Bier I, Tom R, Hiszpanski AM, Steele BA, Marom N.   +5 more
europepmc   +1 more source

Reconfigurable Three‐Dimensional Superconducting Nanoarchitectures

Advanced Functional Materials, EarlyView.
3D superconducting nanostructures offer new possibilities for emergent physical phenomena. However, fabricating complex geometries remains challenging. Here 3D nanoprinting of complex 3D superconducting nanoarchitectures is established. As well as propagating superconducting vortices in 3D, anisotropic superconducting properties with geometric ...
Elina Zhakina, Luke Alexander Turnbull, Weijie Xu, Markus König, Paul Simon, Wilder Carrillo‐Cabrera, Amalio Fernández‐Pacheco, Uri Vool, Dieter Suess, Claas Abert, Vladimir M. Fomin, Claire Donnelly   +11 more
wiley   +1 more source

Composition and Resulting Band Alignment at the TiO2/InP Heterointerface: A Fundamental Study Combining Photoemission Spectroscopy and Theory

Advanced Functional Materials, EarlyView.
The chemical composition and band alignment are systematically investigated at the TiO2/InP heterointerface. Thin TiO2 films are deposited by ALD on atomically ordered, P‐terminated p‐InP(100). By combining UPS, XPS, and ab initio molecular dynamics, the atomistic structure and electronic alignment are revealed.
Mohammad Amin Zare Pour, Muhammad Nawaz Qaisrani, Christian Höhn, Johannes Laurenz Wolf, Negin Mogharehabed, Jennifer Velazquez Rojas, Wolfram Jaegermann, Erich Runge, Roel van de Krol, Thomas Hannappel, Christian Dreßler, Agnieszka Paszuk   +11 more
wiley   +1 more source

Experimentally Validated Ab Initio Crystal Structure Prediction of Novel Metal-Organic Framework Materials. [PDF]

J Am Chem Soc, 2023
Xu Y, Marrett JM, Titi HM, Darby JP, Morris AJ, Friščić T, Arhangelskis M.   +6 more
europepmc   +1 more source

Flux‐Regulated Crystallization of Perovskites Using Machine Learning‐Predicted Solvent Evaporation Rates for X‐Ray Detectors

Advanced Functional Materials, EarlyView.
By integrating machine learning into flux‐regulated crystallization (FRC), accurate prediction of solvent evaporation rates in real time, improving crystallization control and reducing crystal growth variability by over threefold, is achieved. This enhances the reproducibility and quality of perovskite single crystals, leading to reproducible ...
Tatiane Pretto, Sergey Dayneko, Antoine Pavesic Junior, Nicholas Sandor, Alexander Hart, Yuki Haruta, Magdalena Bazalova‐Carter, Marcos J. L. Santos, Makhsud I. Saidaminov   +8 more
wiley   +1 more source

Bimetallic Nanoparticles as Cocatalysts for Photocatalytic Hydrogen Production

Advanced Functional Materials, EarlyView.
Recent developments have introduced bimetallic nanoparticles as effective cocatalysts for photocatalytic systems. This review explores the rapidly expanding research on bimetallic cocatalysts for photocatalytic production of hydrogen, emphasizing the creation of carrier‐selective contacts, localized surface plasmon resonance effects, methodologies for ...
Yufen Chen, Asier Agrelo‐Lestón, Ignasi Burgués‐Ceballos, Jordi Llorca, Lluís Soler   +4 more
wiley   +1 more source

The efficient method for searching stable structures in herringbone-phase organic semiconductors using density functional theory

Applied Physics Express
We present the herringbone structure search (HSS) method to predict the crystal structures of organic semiconductors from molecular structural formulas.
Shuya Hakata, Hiroyuki Ishii, Hirokazu Takaki, Toshihiro Okamoto, Jun Takeya, Nobuhiko Kobayashi   +5 more
doaj   +1 more source

Low‐Symmetry Weyl Semimetals: A Path to Ideal Topological States

Advanced Functional Materials, EarlyView.
This study presents a theoretical framework for realizing ideal Weyl semimetals, where Weyl nodes are well‐isolated at the Fermi level. The approach is exemplified in the low‐symmetry material Cu2SnSe3, which exhibits tunable topological phases, current‐induced orbital magnetization, and a strong circular photogalvanic effect, making it a promising ...
Darius‐Alexandru Deaconu, Varun Shah, Rodion Vladimirovich Belosludov, Mohammad Saeed Bahramy   +3 more
wiley   +1 more source

Zwitterionic or Not? Fast and Reliable Structure Determination by Combining Crystal Structure Prediction and Solid-State NMR. [PDF]

Molecules, 2023
Bravetti F, Russo RE, Bordignon S, Gallo A, Rossi F, Nervi C, Gobetto R, Chierotti MR.   +7 more
europepmc   +1 more source