Results 181 to 190 of about 2,903,061 (286)

Network Topology Governs Photocatalytic Water Splitting in Organic Two‐Dimensional Crystals

Advanced Functional Materials, EarlyView.
Network topology in organic two‐dimensional crystals (O2DCs) dictates the photocatalytic water splitting performance. Kagome‐lattice O2DCs exhibit strong electron‐hole mass asymmetry, spatially separated carriers, and longer recombination lifetimes, exceeding rhombic isomers.
Preeti Bhauriyal, Thomas Heine
wiley   +1 more source

Atomistic simulation of the mechanical behaviors of the pristine and vacancy-induced Ti₂C MXene: Effect of temperature, strain rate, and chirality. [PDF]

Heliyon
Hassan MM, Islam J, Sajal WR, Noman MNH, Rahman MA.   +4 more
europepmc   +1 more source

Balancing Hydrophobicity and Hydrophilicity: Dual Filler‐Engineered Proton Exchange Membranes for Durable, High‐Power Fuel Cells

Advanced Functional Materials, EarlyView.
Polarity‐matched Zr–MOFs program Nafion's nanoscale morphology during solution casting. Hydrophilic UiO‐66 preserves hydrated pathways, while hydrophobic UiO‐67 increases the proton hopping sites by densifying ionic clusters. Combining both fillers yields a membrane that delivers 176 mS cm−1 conductivity, reaches 1.46 W cm−2 under 200 kPa, and triples ...
Yonghwi Cho, Yunseong Ji, Minkyu Choi, Junsu Kim, Yejin Kim, Su Jeong Lee, Wooyoung Choi, Choong Hoo Lee, Ju Yeon Kim, Ohchan Kwon, Hanim Kim, Du Yeol Ryu, Ki Chul Kim, Dae Woo Kim   +13 more
wiley   +1 more source

Fullerene‐Mediated Iodine Immobilization at Buried Interfaces in Sn–Pb Perovskite Solar Cells

Advanced Functional Materials, EarlyView.
Indene‐C60 bisadduct (ICBA) accumulates at the buried interface of inverted tin‐lead perovskite solar cells, limiting undesired electron extraction while maintaining efficient hole transport. ICBA simultaneously scavenges molecular iodine, mitigating Sn2+ oxidation and interfacial recombination. This coupled electronic‐chemical regulation delivers 22.7%
Chi‐Jing Huang, Yi‐Sheng Lin, Matyas Daboczi, Yueyao Dong, Anuj Kumar Singh, Luis Lanzetta, Yun‐Shan Li, Chang‐Hao Wang, Huan‐Wei Lin, Wei‐Jia Qiu, Yi‐Ting He, Chun‐Fu Chang, Sanjayan Sathasivam, Derya Baran, Thomas J. Macdonald, Chieh‐Ting Lin   +15 more
wiley   +1 more source

High‐Throughput Discovery of Quantum Frustrated Materials

Advanced Functional Materials, EarlyView.
Physics‐guided discovery of frustrated kagome and triangular magnets. ABSTRACT Geometrical frustration provides a fertile platform for realizing exotic quantum phases such as spin liquids, yet, the predictive identification of frustrated magnets remains limited.
Byeong‐Hyeon Jeong, Hee Seung Kim, Jiwon Choi, SungBin Lee, Myung Joon Han   +4 more
wiley   +1 more source

Atomistic simulation of carbohydrate-protein complex formation: Hevein-32 domain. [PDF]

Sci Rep, 2019
Solanke CO, Trapl D, Šućur Z, Mareška V, Tvaroška I, Spiwok V.   +5 more
europepmc   +1 more source

Coordination‐Modulated Catalytic Pathways at Carbon Dots‐Supported Single‐Atom Sites Revealed by Thiol Interactions

Advanced Functional Materials, EarlyView.
Carbon dots‐supported single‐atom catalysts provide a model platform for uncovering how coordination interactions regulate catalytic reactivity. Thiol binding at Ru‒N4 centers reshapes the reaction energy landscape of H2O2 activation, dynamically modulating ROS‐generation pathways through electronic‐structure perturbation.
Yihong Chen, Li Zhang, Qian Dong, Qingshi Liu, Kun Wang, Huiping Wang, Shaomin Shuang, Chuan Dong, Jin‐Chang Guo, Xiaojuan Gong, Zhuo Chen, Yingfu Li   +11 more
wiley   +1 more source

Rapid and accurate predictions of perfect and defective material properties in atomistic simulation using the power of 3D CNN-based trained artificial neural networks. [PDF]

Sci Rep
Peivaste I, Ramezani S, Alahyarizadeh G, Ghaderi R, Makradi A, Belouettar S.   +5 more
europepmc   +1 more source

Vector‐Field Control and Emergent Basal‐Plane Anisotropy of Magnetic Textures in Noncentrosymmetric (Fe0.63Ni0.3Pd0.07)3P

Advanced Functional Materials, EarlyView.
A field‐driven transition from chiral stripes to an achiral fan state is observed in a tetragonal magnet and linked to a temperature‐dependent rotation of the effective Dzyaloshinskii–Moriya interaction axis. This interplay generates pronounced in‐plane anisotropy and provides a new route for controlling chiral spin textures in noncentrosymmetric ...
Victor Ukleev, Oleg I. Utesov, Lorenzo Ubilla, Chen Luo, Radu‐Marius Abrudan, Peter Wild, Holger Kropf, Moritz Winter, Sebastian Schneider, Alexander Tahn, Bernd Rellinghaus, Tim A. Butcher, Simone Finizio, Sebastian Wintz, Markus Weigand, Max T. Birch, Yoshinori Tokura, Yasujiro Taguchi, Kosuke Karube, Florin Radu   +19 more
wiley   +1 more source

Atomistic Simulation on the Twin Boundary Migration in Mg under Shear Deformation. [PDF]

Materials (Basel), 2019
Song S, Wang Y, Wang Y, Wang X.
europepmc   +1 more source