Results 161 to 170 of about 1,695,763 (245)

Free-Energy Profiles of Confined Reactions: Influence of Confinement Type and Challenges for Metadynamics Methods. [PDF]

ACS Phys Chem Au
Ernst M, Hutter J.
europepmc   +1 more source

A construction of weakly reflective submanifolds in compact symmetric spaces (Differential Geometry of Submanifolds)

A construction of weakly reflective submanifolds in compact symmetric spaces (Differential Geometry of Submanifolds)
本講演では, 既約制限ルート系の拡張である対称三対の概念を用いて, 可換なHermann作用の軌道が弱鏡映部分多様体になるための十分条件を与える. この十分条件を用いて, コンパクト対称空間内の弱鏡映部分多様体の新しい例を与える.
openaire   +1 more source

Phase‐Engineered MoS2 Quantum Monolayer Catalysts

Advanced Materials, EarlyView.
A new type of catalyst model—phase‐engineered MoS2 quantum‐monolayer catalyst (∼0.8 nm thick, < 6 nm in the lateral size; switchable freely among metallic 1T, semiconducting 2H, and a hybrid phase of metallic‐semiconducting 1T‐2H)—is reported. It can efficiently and stably drive photochemical H2, syngas and ammonia synthesis as a catalyst or co ...
Ruijie Yang, Yingying Fan, Lillian Pernitsky, Mojtaba Ebrahimian Mashhadi, Ningxin Chen, Md. Mehadi Hassan, Zheng Li, Heng Zhao, Liang Mei, Zhiyuan Zeng, Zhangxing Chen, Jinguang Hu, Qingye Lu   +12 more
wiley   +1 more source

Horizon data: existence results and a near-horizon equation on general null hypersurfaces. [PDF]

Gen Relativ Gravit
Manzano M, Mars M.
europepmc   +1 more source

Ionic Cocrystal Programming of Spatial Ionic Organization in Carbon Nitrides Enables Highly Efficient H2O2 Photosynthesis

Advanced Materials, EarlyView.
Ionic cocrystal‐programmed ionic organization establishes a general strategy for electrostatic programming in polymeric photocatalysts. ABSTRACT Controlling the spatial organization of ions in polymeric photocatalysts remains a fundamental challenge for optimizing charge transport and catalytic selectivity in solar‐driven hydrogen peroxide (H2O2 ...
Anna Lo Presti, Zahra Hajiahmadi, Sam A. J. Hillman, Mu Xiao, James R. Durrant, Thomas D. Kühne, Christian Mark Pelicano   +6 more
wiley   +1 more source

1T‐to‐2H Phase Evolution During Epitaxial Growth of Transition Metal Dichalcogenides

Advanced Materials, EarlyView.
During MOCVD growth of MoS2 and WSe2, a transient metallic 1T phase emerges in early, edge‐rich, chalcogen‐deficient domains and declines as the films ultimately coalesce as 2H material. Together, experiments and ReaxFF simulations link domain size, edge stoichiometry, and vacancies to this evolution.
Andrew R. Graves, Yiru Zhu, Matin Salimi Irdmusa, Nadire Nayir, Thomas V. Mc Knight, Chen Chen, Ke Wang, Adri C. T. van Duin, Joan M. Redwing   +8 more
wiley   +1 more source

Detecting entanglement in high-spin quantum systems via a stacking ensemble of machine learning models. [PDF]

Sci Rep
Abd-Rabbou MY, Zahia AA, Abdallah AM, Gouda AA, Qiao CF.   +4 more
europepmc   +1 more source

Descriptor‐Informed Screening of Interface‐Active Molecules for Efficient Magnesium Metal Anodes

Advanced Materials, EarlyView.
A descriptor‐informed molecular screening strategy identifies 4‐bromo‐N, N‐dimethylaniline (BrNNA) as an interface‐active electrolyte component that enables fast Mg stripping/plating in Mg(TFSI)2‐based electrolytes. By simultaneously regulating Mg2+ solvation and interphase formation, the BrNNA‐containing electrolyte delivers activation‐free Mg ...
Hao Xu, Yue Li, Tian Xie, Arafat Hossain Khan, Fengzhan Sun, Zhao Li, Lingyue Liu, Zhaohui Yang, Xinlong Xie, Huayu Qiu, Quanquan Guo, Tian Sun, Xingyuan Chu, Jingwei Du, Jianxin Zou, Xinliang Feng, Minghao Yu   +16 more
wiley   +1 more source

Contagion and escalation of rule violations. [PDF]

Proc Biol Sci
Molleman L, Hoyer K, van Kleef GA, Scholz C, Hausfeld J.   +4 more
europepmc   +1 more source