End-to-end molecular structure elucidation from multimodal NMR spectra images using vision transformers [0.03%]
基于视觉变换器的多模核磁共振光谱图像端到端分子结构解析方法
Chao Han,Xiaolin Pan,Yingkai Zhang
Chao Han
Nuclear magnetic resonance (NMR) spectroscopy is a cornerstone technique for molecular structure elucidation, but interpreting complex NMR spectra remains challenging and often relies on expert-driven, heuristic workflows. Recent deep learn...
Skeletal rearrangement of [4]helicenes under acidic conditions: dynamic chirality and improved properties by subsequent peripheral editing [0.03%]
在酸性条件下[4]螺旋烯的骨架重排：通过后续周边编辑实现动态手性和改善性质
Arthur Gaucherand,Romain Duwald,Christelle Herse et al.
Arthur Gaucherand et al.
Cationic diaza[4]helicenes are attractive fluorescent scaffolds, yet access to unsymmetrical substitution patterns remains limited. Here, we report that chiral 1,13-dimethoxyquinacridinium (DMQA) derivatives undergo an acid-mediated skeleta...
Electron transfer from singlet fission dimers: possibilities and limitations [0.03%]
从单重态裂分二聚体中实现电子转移：可能性与局限性
Sree Chithra,Corentin Pigot,Claire Tonnelé et al.
Sree Chithra et al.
Photocatalytic production of H2 or hydrocarbons requires multiple electrons, and therefore the absorption of multiple photons and accumulation of photoexcited charges. Alternatively, multiexciton generation (MEG) could loosen this requireme...
Supramolecular assembly strategy of multinuclear platinum(ii) complexes for proof-of-concept detection and extraction of perfluorohexanoic acid [0.03%]
超分子组装策略用于多核铂(ii)配合物的概念验证检测和全氟己酸提取
Nicholas Chun-Ming Yeung,Zhen Chen,Ziyong Chen et al.
Nicholas Chun-Ming Yeung et al.
Wide applications of per-/poly-fluoroalkyl substances (PFASs) in manufacturing fluorinated-polymer coatings and products pose serious health and environmental threats due to their highly chemical robustness. The development of efficient sen...
Generative intelligence explores the chemical space of ten million catalysts [0.03%]
生成智能探索十万种催化剂的化学空间
Ruili Li,Shuoqi Zhang,Qingli Tang et al.
Ruili Li et al.
Discovery of catalytic materials requires systematic exploration of vast chemical spaces. However, the scope of exploration that can be achieved using conventional theoretical and experimental methods is very limited. Herein, we present a s...
Enhanced interfacial charge transport motivated by Bi2Te3-SbPO4@NC heterointerface for superior Zn2+ and NH4 + storage system [0.03%]
Bi2Te3-SbPO4@NC异质界面驱动的增强界面电荷输运用于高性能锌离子和铵根离子存储系统
Zhiyuan Zha,Ruinan Chen,Tong Zhou et al.
Zhiyuan Zha et al.
Aqueous energy storage technologies hold great promise in the renewable energy field. Transition metal dichalcogenides (TMDs) have garnered significant attention as prospective cathode materials. However, their development has been hampered...
A columnar liquid crystalline self-assembly of a donor-acceptor TADF emitter design for solution-processed OLEDs [0.03%]
一种柱状液态晶体自组装供体-受体TADF发光材料的设计及其在溶液加工型OLEDs中的应用研究
Joydip De,Yuka Yasuda,Mikihito Takenaka et al.
Joydip De et al.
The self-assembly of π-conjugated molecules into supramolecular columnar structures has become an effective strategy for the creation of soft, durable, and adaptable materials with immense potential for application in organic optoelectroni...
Synergistic energy and charge transfer dynamics in LD/3D perovskite heterojunctions for optoelectronic applications [0.03%]
用于光电子器件的二维/三维钙钛矿异质结中的协同能量和电荷转移动力学研究
Bidisha Nath,Pradhi Srivastava,Junjie Xie et al.
Bidisha Nath et al.
The functionality of low-dimensional (LD)/three-dimensional (3D) heterojunctions is governed by factors such as lattice mismatch, surface potential, and controlled growth conditions, all of which critically influence charge and energy trans...
Photocatalysis beyond band gaps and hot carriers: toward a unified view of semiconductor and plasmonic systems [0.03%]
超越禁带和热载流子的光催化：半导体和等离子系统统一观点的研究进展
Rishi Verma,Gunjan Sharma,Rohit Bansal et al.
Rishi Verma et al.
Photocatalysis stands at the forefront of efforts to address global challenges in sustainable energy and environmental remediation. In this review, we critically examine the two major classes of heterogeneous photocatalysts-plasmonic materi...
Atomic modulation of Na+ transport channels to enhance rate and cycling performance of tunnel-type sodium manganese oxides [0.03%]
通过原子级调节钠离子传输通道提升隧道结构钠锰氧化物材料的倍率和循环性能研究
Chen Xu,Qinghua Yi,Kaibin Feng et al.
Chen Xu et al.
Tunnel-structured Na0.44MnO2 is considered a promising cathode material for large-scale sodium-ion batteries due to its low cost, excellent air stability, and compatibility with sodium compensation strategies; however, its practical applica...