Results 151 to 160 of about 22,598 (262)

Atomistic simulation of olefin polymerization reaction by organometallic catalyst: significant role of microscopic structural dynamics of (pyridylamido) Hf(IV) complex in catalytic reactivity. [PDF]

Front Chem
Matsumoto K, Misawa N, Kanesato S, Nagaoka M.   +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, Gayoung Seo, Seong Yeon Park, Juwon Jang, Yunho Ahn, Samiksha Mukesh Jain, Samrat Das Adhikari, Harumi Correa‐Leiva, Ignacio Utreras‐Asenjo, Oscar A. Douglas‐Gallardo, Carina Pareja‐Rivera, Kayoung Cho, Byeongsung Kim, Jhonatan Rodriguez‐Pereira, Eunseo Choi, JaeHong Park, Jin Ho Bang, Danilo H. Jara‐Quinteros, Sixto Giménez, Seog Joon Yoon, Andrés F. Gualdrón‐Reyes, Iván Mora‐Seró   +21 more
wiley   +1 more source

Atomistic Simulation and Micro-Pillar Compression Studies on the Influence of Glass-Glass Interfaces on Plastic Deformation in Co-P Metallic Nano-Glasses. [PDF]

Materials (Basel)
Wang Y, Chen J, Li M, Zheng G.
europepmc   +1 more source

Solution‐Processed Two‐Dimensional Indium Oxide on Sodium‐Embedded Alumina for Reconfigurable Optoelectronic Synaptic Transistors

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, Yonghyun Albert Kwon, Hyunbin Kim, Jihyun Kim, Myeongjin Jung, Jaewon Heo, Gwang Ya Kim, Vlastimil Mazanek, Zdeněk Sofer, In Soo Kim, Jeong Ho Cho, Hyesung Park, Sang Min Won, Joohoon Kang   +13 more
wiley   +1 more source

Atomistic Simulation Study of Nanoparticle Effect on Nano-Cutting Mechanisms of Single-Crystalline Materials. [PDF]

Micromachines (Basel), 2020
Zhao P, Zhang Q, Guo Y, Liu H, Deng Z.
europepmc   +1 more source

Historical Foundation and Practical Guideline for Ferroelectric Switching Kinetic Studies

Advanced Functional Materials, EarlyView.
The P and U pulses in the conventional PUND measurements are not identical because of the interplay between switching current and the measurement circuit components. This circuit effect can lead to a shift in polarization transients and misinterpreted physics in the switching kinetics.
Yi Liang, Pat Kezer, John T. Heron
wiley   +1 more source

Quantifying Subsurface Weak in‐Plane Magnetization of Mixed Phase BiFeO3 by Scanning Nitrogen Vacancy Magnetometry

Advanced Functional Materials, EarlyView.
We use scanning nitrogen vacancy magnetometry to directly image the weak in‐plane magnetic moments in mixed phase BiFeO3 at the nanoscale and quantify the local magnetic moments to be 18.8±2.0 μB/nm2 in the rhombohedral‐like phase and 1.5±0.6 μB/nm2 in the well‐known non‐magnetic tetragonal‐like phase.
Lei Wang, Zhewen Xu, Yuwen Xu, Björn Josteinsson, Simon Josephy, Dawei Zhang, Yunlong Sun, Heung‐Sik Park, Jihun Kim, Kanghyun Chu, Kyung Song, Danyang Wang, Chan‐Ho Yang, Andrea Morales, Jan Seidel   +14 more
wiley   +1 more source

Growth kinetics of amyloid-like fibrils: An integrated atomistic simulation and continuum theory approach. [PDF]

PNAS Nexus
Zhang R, Jalali S, Dias CL, Haataja MP.
europepmc   +1 more source

Characterizing Protein-Ligand Binding Using Atomistic Simulation and Machine Learning: Application to Drug Resistance in HIV-1 Protease. [PDF]

J Chem Theory Comput, 2020
Whitfield TW, Ragland DA, Zeldovich KB, Schiffer CA.   +3 more
europepmc   +1 more source

Chiral Phase Change Nanomaterials

Advanced Functional Materials, EarlyView.
This work demonstrates reversible, non‐volatile phase transitions in chiral Ge2${\rm Ge}_2$Sb2${\rm Sb}_2$Te5${\rm Te}_5$ (GST) nanohelices for high‐speed optical modulation of chirality and dynamic control of the state of polarization (SOP). The chiral nanostructures are fabricated using a highly directional, wafer‐scale physical vapor deposition ...
Joshua A. Burrow, Md Shah Alam, Riad Yahiaoui, Evan M. Smith, Ryan Laing, Jules Gardener, Thomas A. Searles, Piyush J. Shah, Shivashankar Vangala, Joshua R. Hendrickson, Andrew M. Sarangan, Imad Agha   +11 more
wiley   +1 more source