Results 121 to 130 of about 926,154 (239)

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

OrientationNN: a physics-informed lightweight neural network for real-time joint kinematics estimation from IMU data. [PDF]

Front Bioeng Biotechnol
Bian Q, Wang H, Alsayed K, Ding Z.
europepmc   +1 more source

Chiral SURMOFs for Vibrational Circular Dichroism: Multiscale Modeling and Experimental Insights

Advanced Functional Materials, EarlyView.
The use of solid‐state vibrational circular dichroism (VCD) for MOFs is still somewhat unexplored, and in this work, it is shown that chiral surface‐anchored MOFs (SURMOFs) grown on CaF2 provide an excellent platform for VCD. Experimental results are validated through multiscale modeling, showing strong agreement across multiple spectroscopic ...
Ana C. Fingolo, Nadine von Coelln, Benedikt Zerulla, Marjan Krstić, Christian Huck, Thomas G. Mayerhöfer, Christoph Krafft, Petra Tegeder, Carsten Rockstuhl, Christof Wöll   +9 more
wiley   +1 more source

Physics-informed TVAE workflow for data augmentation, mechanical validation, optimization of CFRP-strengthened CFST beams. [PDF]

MethodsX
Admasu MB, Admassu AM, Biresaw TH, Tarekegn AG.   +3 more
europepmc   +1 more source

Zwitterionic Self‐Assembled Monolayer for Simultaneous Noise Suppression and Hole Extraction in High‐Performance Near‐Infrared Organic Photodetectors

Advanced Functional Materials, EarlyView.
This study presents a new hole transporting material (HTM) mechanism for self‐assembled monolayers in near‐infrared organic photodetectors. The formation of zwitterions induces a strong electric field that significantly increases the work function of HTM‐coated indium tin oxide substrates. The devices exhibit low dark current and noise, along with high
Jiyoung Shin, Gyeong Min Lee, Juyeon Shin, Jaewoong Kim, Tae Hyuk Kim, Do Yeon Kim, Myeong In Kim, Kyeounghak Kim, Jae Won Shim, In Hwan Jung   +9 more
wiley   +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

Infrared Nanocrystals for Space Application: Hardness to Irradiations

Advanced Functional Materials, EarlyView.
This article investigates infrared HgTe nanocrystals under X‐ray and ion irradiation, revealing remarkable radiation hardness. It uncovers distinct degradation mechanisms and shows that the nanomaterial outperforms integrated electronics. The results position colloidal nanocrystals as promising candidates for resilient space and harsh‐environment ...
Alexandre Neyret, Dario Mastrippolito, Bingbing Xia, Adrien Khalili, Maxime Lebreton, Giorgia Strobbia, Albin Colle, Marco Paye, Mariarosa Cavallo, Erwan Bossavit, Claire Abadie, Yoann Prado, Debora Pierucci, Victor Parahyba, Francois Coursaget, David Darson, Emrick Briand, Ian Vickridge, Stephane Demiguel, Sebastien Massenot, Jean‐Marc Belloir, Vincent Goiffon, Emmanuel Lhuillier   +22 more
wiley   +1 more source

Physics-informed neural network with weighted loss and hard constraints for hyperbolic conservation laws. [PDF]

Sci Rep
Ghoreishi MS, Naderan H.
europepmc   +1 more source

Transition From Lattice Oxygen to Radical‐Mediated Oxidation in Ammonium‐Intercalated Birnessite Catalysts for Selective Valorization of Biomass to Produce Formic Acid

Advanced Functional Materials, EarlyView.
The catalytic valorization of biomass represents an essential approach for achieving sustainable chemical production, with formic acid (FA) being recognized as a valuable platform chemical for hydrogen storage and environmentally friendly synthetic applications.
Yiqi Geng, Wei Xiong, Wenhua Xue, Jian Ye, Puranjan Mishra, Rajenahally V. Jagadeesh, Jun Zhao   +6 more
wiley   +1 more source

Reply to: Neutron diffraction evidence of the 3-dimensional structure of Ba₂MnTeO₆ and misidentification of the triangular layers within the face-centred cubic lattice. [PDF]

Sci Rep
Khatua J, Arh T, Mishra SB, Luetkens H, Zorko A, Sana B, Rao MSR, Nanda BRK, Khuntia P.   +8 more
europepmc   +1 more source