Results 141 to 150 of about 39,878 (262)

Predicting Atomic Charges in MOFs by Topological Charge Equilibration

Advanced Functional Materials, EarlyView.
An atomic charge prediction method is presented that is able to accurately reproduce ab‐initio‐derived reference charges for a large number of metal–organic frameworks. Based on a topological charge equilibration scheme, static charges that fulfill overall neutrality are quickly generated.
Babak Farhadi Jahromi, Sumukh Shankar Sharadaprasad, Rochus Schmid   +2 more
wiley   +1 more source

Twist Grain Boundary Phases in Proper Ferroelectric Liquid Crystals Realm. [PDF]

Adv Sci (Weinh)
Pociecha D, Szydlowska J, Vaupotič N, Kwiatkowska K, Juodka M, Spiess J, Storey JM, Imrie CT, Walker R, Gorecka E.   +9 more
europepmc   +1 more source

Enhancing Synaptic Plasticity and Multistate Retention of Organic Neuromorphic Devices Using Anion‐Excessive Gel Electrolyte

Advanced Functional Materials, EarlyView.
Anion‐excessive gel‐based organic synaptic transistors (AEG‐OSTs) that can maintain electrical neutrality are developed to enhance synaptic plasticity and multistate retention. Key improvement is attributed to the maintenance of electrical neutrality in the electrolyte even after electrochemical doping, which reduces the Coulombic force acting on ...
Yousang Won, Jeongwoo Lee, Hyunwook Kim, Joon Hak Oh   +3 more
wiley   +1 more source

Surface Structure and Grain Boundary Effects on the Oxygen Evolution Reaction at Gold Electrodes. [PDF]

ACS Electrochem
Xu X, Kang M, Yan S, Daviddi E, West G, Valavanis D, Wahab OJ, Unwin PR.   +7 more
europepmc   +1 more source

Silver Ion‐Mediated [hk1]‐Oriented Sb2Se3 Crystal Growth for Efficient Photoelectrochemical Hydrogen Evolution

Advanced Functional Materials, EarlyView.
Ag+‐mediated hydrothermal crystal engineering promotes preferential [hk1]‐oriented growth of Sb2Se3 via an ultrathin MoOx interlayer, improving crystallinity and suppressing non‐radiative recombination. The optimized Ag+ treatment photocathode delivers 24.7 mA cm−2 at 0 VRHE and improved stability, revealing an ion‐modulated route to high‐performance ...
Ziying Zhang, Zhenbin Wang, Mirjana Dimitrievska, Miloš Baljozović, Yongping Gan, Pardis Adams, Sanghyun Bae, Thomas Moehl, Wenzhe Niu, Xiang jiu Guan, S. David Tilley   +10 more
wiley   +1 more source

Block Magnets with Uniform Core-Shell Microstructure Regenerated from NdFeB Grain Boundary Diffusion Sheet Magnets. [PDF]

Nanomaterials (Basel)
Zhuge X, Dong S, Jin Y, Wu Q, Yue M, Liu W, Li Y, Wang Z, Lu Q, Qiu Y, Tong Y.   +10 more
europepmc   +1 more source

Modulating Interfacial Potential Gradients in Metal−Carbon Catalysts via Phase‐Engineering for Lithium–Sulfur Batteries

Advanced Functional Materials, EarlyView.
It is elucidated that phase engineering of cobalt modulates the interfacial potential gradients of cobalt–carbon electrocatalysts, enhancing the intrinsic electrocatalytic performance. Modulating the dominant crystalline phase of cobalt from a hexagonal close‐packed to a face‐centered cubic enriches the electron density of carbon shells, thereby ...
Ji‐Oh Kim, Hengquan Guo, Seonghee Kim, Jae Bin Park, Seongwook Chae, Taekyun Kwon, Seungjo Hong, Byeong Jin Kim, Guadalupe Arturo De la Garza Gonzalez, Minjoon Park, Jae Ho Kim, Oi Lun Li, Seung Geol Lee, Jin Hong Lee   +13 more
wiley   +1 more source

Grain Boundary Guided Folding of Graphene for Twisted Bilayer Graphene. [PDF]

Nanomaterials (Basel)
Feng F, Zhou K, Zhang K, Wang L, Wang R, Xia J, Tang C.   +6 more
europepmc   +1 more source

Universal Electronic‐Structure Relationship Governing Intrinsic Magnetic Properties in Permanent Magnets

Advanced Functional Materials, EarlyView.
Permanent magnets derive their extraordinary strength from deep, universal electronic‐structure principles that control magnetization, anisotropy, and intrinsic performance. This work uncovers those governing rules, examines modern modeling and AI‐driven discovery methods, identifies critical bottlenecks, and reveals electronic fingerprints shared ...
Prashant Singh
wiley   +1 more source

Rational Grain Boundary Segregation Enables Long-Term Thermally Stable, Catalytically Active, and CO-Tolerant Nanograined Metals. [PDF]

Adv Sci (Weinh)
Geng X, Lu X, Wang Z, Gault B.
europepmc   +1 more source