Results 161 to 170 of about 106,304 (285)
Advanced Functional Materials, EarlyView.Liquid‐phase transmission electron microscopy enables direct observation of nucleation and growth processes in solution. This review is dedicated to the remembrance of Helmut Cölfen and highlights recent studies on complex materials—oxides, biominerals, organic–inorganic crystals—which were central to his research activity. It summarizes key milestones,
Charles Sidhoum +5 more
wiley +1 more source
Deep learning generative model for conditional crystal structure prediction of sodium amide. [PDF]
NPJ Comput MaterGuan R, Liu A, Song Y.
europepmc +1 more source
Spatially Modulated Morphotropic Phase Boundaries in a Compressively Strained Multiferroic Thin Film
Advanced Functional Materials, EarlyView.ABSTRACT The coexisting rhombohedral‐like (R′, MA) and tetragonal‐like (T′, MC) monoclinic phases in compressively strained bismuth ferrite thin films exhibit exceptional piezoelectric and magnetic properties. While previous studies have largely focused on probing the morphotropic phase boundaries (MPBs) comprising ordered R′/T′ twins, their self ...
Ting‐Ran Liu +7 more
wiley +1 more source
PNcsp+: A Periodic Number-Based Crystal Structure Prediction Method Enhanced by Machine Learning. [PDF]
J Chem Theory ComputOran C, Caputo R, Villars P, Tekin A.
europepmc +1 more source
Crystal Structure Prediction for Benzene Using Basin-Hopping Global Optimization. [PDF]
J Phys Chem A, 2021 Banerjee A +3 more
europepmc +1 more source
X‐Functionality–Driven Photocatalytic Hydrogen Evolution in 2D 4‐X‐PEA2SnI4 Perovskites
Advanced Functional Materials, EarlyView.We report a water‐based synthesis of 2D 4‐X‐PEA2SnI4 perovskite microcrystals with prominent photocatalytic (PC) activity for H2 production. The synergy between organic functionalization and HI‐derived iodide scavenges holes suppress octahedral distortion, and favor electron accumulation, enabling a PC H2 evolution ∼20 µmol·g−1 and long‐term stability ...
Taeyeon Kim +21 more
wiley +1 more source
Advanced Functional Materials, EarlyView.Wafer‐scale two‐dimensioanl In2Se3 oxidized into InOx on sodium‐embedded beta‐alumina enables multifunctional reconfigurable electronics. Sodium ions accumulate within distinct spatial distribution under drain‐controlle and gate‐controlled operation. Drain‐control operation gives controllability of ultraviolet‐driven optoelectronic synaptic conductance
Jinhong Min +13 more
wiley +1 more source
Data-Driven Crystal Structure Prediction for Ternary Metal Chalcogenides. [PDF]
Chem MaterLi T, Park H, Walsh A.
europepmc +1 more source
Machine Learning‐Assisted Inverse Design of Soft and Multifunctional Hybrid Liquid Metal Composites
Advanced Functional Materials, EarlyView.A machine learning framework is presented for inverse design of synthesizable multifunctional composites containing both liquid metal and solid inclusions. By integrating physics‐based modeling, data‐driven prediction, and Bayesian optimization, the approach enables intelligent design of experiments to identify optimal compositions and realize these ...
Lijun Zhou +5 more
wiley +1 more source
Supplementary files for article "The seventh blind test of crystal structure prediction: structure generation methods"A seventh blind test of crystal structure prediction was organized by the Cambridge Crystallographic Data Centre featuring seven target ...
Xiaolu Lin (17712420) +99 more
core +1 more source