Results 141 to 150 of about 1,300 (247)

Shear‐Induced Emergence of Aromatic Superlow‐Friction Interfaces in Amorphous Carbon: Triggering Chemical Impurities and Atomic‐Scale Mechanisms

Advanced Science, EarlyView.
High‐throughput quantum‐mechanical simulations reveal that amorphous carbon undergoes shear‐driven structural transformation into aromatic, graphene‐like interfaces. This mechanochemical process is governed by dopant chemistry: dopants with valency less than four promote the emergence of superlow‐friction amorphous graphene, whereas tetra‐valent ...
Takuya Kuwahara, Koki Horiguchi, Leonhard Mayrhofer, Gianpietro Moras, Michael Moseler   +4 more
wiley   +1 more source

Systematically Improvable and Locality Accelerated Enzymatic Reactivity Modeling: Toward Chemical Accuracy at Affordable Cost. [PDF]

J Chem Theory Comput
Berta D, Csóka J, Samu G, Nagy PR.
europepmc   +1 more source

V2CTx MXene as a Sacrificial Promoter for NiFe Catalyst for Anion Exchange Membrane Electrolyzers

Advanced Science, EarlyView.
These findings demonstrate that V2CTx functions beyond passive conductive support as an active electronic participant whose structural legacy sustains durable performance even after vanadium leaching in Anion Exchange Membrane (AEM) Electrolysers. ABSTRACT Nickel‐iron layered double hydroxides (NiFe‐LDH) show excellent activity, their poor conductivity
Bastian Schmiedecke, Can Kaplan, Karuppasamy Dharmaraj, Axel Zuber, Merve Buldu‐Aktürk, Ningjun Chen, Mailis Lounasvuori, Xuyun Guo, Valeria Nicolosi, Thorsten Schultz, Norbert Koch, Johanna Rosen, Michelle P. Browne   +12 more
wiley   +1 more source

Exact ODE Framework for Classical and Quantum Corrections for the Lennard-Jones Second Virial Coefficient. [PDF]

Entropy (Basel)
Zhao Z, González-Calderón A, Perera-Burgos JA, Estrada A, Hernández-Anguiano H, Martínez-Lázaro C, Li Y.   +6 more
europepmc   +1 more source

A new method for the calculation of functional and path integrals. [PDF]

Sci Rep, 2023
Hari AA, Givli S.
europepmc   +1 more source

Dielectric‐Confinement‐Induced in‐Plane Photoelectric Anisotropy in Isotropic Quasi‐1D γ‐GaS Nanoribbon

Advanced Science, EarlyView.
We investigate the geometry‐governed optoelectronic anisotropy arising from dielectric confinement in quasi‐1D γ‐GaS nanoribbons with intrinsically isotropic atomic structures. Dielectric mismatch between the nanoribbon and its surroundings leads to a general polarization‐dependent photoresponse during near‐field scattering.
Jiawei Jing, Jiamei Chen, Xing Xin, Peisong Peng, Zhihao Wu, Weiheng Zhong, Hanyu Zhang, Wanfu Shen, Jihua Zhang, Yuwei Shan, Yuanzheng Li, Xingang Zhao, Wei Xin, Fang Wang, Weida Hu, Haiyang Xu, Yichun Liu   +16 more
wiley   +1 more source

Hybrid calculation of hadronic vacuum polarization in muon g - 2 to 0.48. [PDF]

Nature
Boccaletti A, Borsanyi S, Cotellucci A, Davier M, Fodor Z, Frech F, Gérardin A, Giusti D, Kotov AY, Lellouch L, Lippert T, Lupo A, Malaescu B, Mutzel S, Portelli A, Risch A, Sjö M, Stokes F, Szabo KK, Toth BC, Wang G, Zhang Z.   +21 more
europepmc   +1 more source

Beyond Percolation: Graphene‐Enabled Network Reinforcement Enhances Thermal Transport in Paraffin Phase‐Change Composites

Advanced Science, EarlyView.
Expanded‐graphite/graphene‐nanoplatelet hybrids deliver a near‐order‐of‐magnitude thermal‐conductivity enhancement in paraffin phase‐change materials. A microCT‐informed 3D modeling framework resolves the percolating EG backbone and captures sub‐voxel GNP enrichment, quantitatively linking microstructure to heat flow and revealing a graphene‐enabled ...
Thomas Hoke, Jackson Hoke, Shucheng Guo, Brittany Chan, Xi Chen   +4 more
wiley   +1 more source

On the Relativity of Quantumness as Implied by Relativity of Arithmetic and Probability. [PDF]

Entropy (Basel)
Czachor M.
europepmc   +1 more source

Trap Depth Modulation and Antenna Effect of Organic Ligands for Enhancing Rare‐Earth Long Persistent Luminescence

Advanced Science, EarlyView.
Different from the current research trends that mainly focus on optimizing a single color system, a universal organic–inorganic hybrid strategy is proposed, aiming to synergistically enhance the luminescent properties of red, green, and blue multi‐color inorganic long‐persistent phosphorescent materials by trap depth modulation and antenna effect of ...
Ting Tan, Nian Li, Bangmin Liu, Hao Wang, Xia Huang, Yuanjin Chen, Zhonghao Wang, Chaolong Yang   +7 more
wiley   +1 more source