Bromination-Enhanced Chiral Interactions for Triphenylamine on Au and Ag(111) DOI
Hiroaki Ooe,

Kazushiro Takasugi,

Takashi Yokoyama

et al.

The Journal of Physical Chemistry C, Journal Year: 2025, Volume and Issue: unknown

Published: March 2, 2025

Language: Английский

Graphene-Enabled Multiresonator Metasurfaces for Ultrasensitive Surface Plasmon Resonance Detection of Waterborne Bacteria Across Multiple Frequencies with Machine Learning Optimization DOI
Jacob Wekalao, Shobhit K. Patel, A. M. Balamurugan

et al.

Plasmonics, Journal Year: 2024, Volume and Issue: unknown

Published: Nov. 21, 2024

Language: Английский

Citations

16
Optimizing photocatalysis via electron spin control DOI Creative Commons
Shaoxiong He, Yanxi Chen, Jingyun Fang

et al.

Chemical Society Reviews, Journal Year: 2025, Volume and Issue: unknown

Published: Jan. 1, 2025

This review systematically summarizes recent advanced strategies for manipulating electron spin to optimize photocatalysis. It provides valuable insights guide future research on control enhancing photocatalytic applications.

Language: Английский

Citations

4
The promise of chiral electrocatalysis for efficient and sustainable energy conversion and storage: a comprehensive review of the CISS effect and future directions DOI Creative Commons
Kyunghee Chae,

Nur Aqlili Riana Che Mohamad,

J. A. Kim

et al.

Chemical Society Reviews, Journal Year: 2024, Volume and Issue: 53(18), P. 9029 - 9058

Published: Jan. 1, 2024

The integration of chirality, specifically through the chirality-induced spin selectivity (CISS) effect, into electrocatalytic processes represents a pioneering approach for enhancing efficiency energy conversion and storage systems. This review delves burgeoning field chiral electrocatalysis, elucidating fundamental principles, historical development, theoretical underpinnings, practical applications CISS effect across spectrum reactions, including oxygen evolution reaction (OER), reduction (ORR), hydrogen (HER). We explore methodological advancements in inducing structural surface engineering discuss various techniques its measurement, from magnetic conductive atomic force microscopy (mc-AFM) to peroxide titration. Furthermore, this highlights transformative potential addressing key challenges NRR CO

Language: Английский

Citations

12
A chemical perspective on the chiral induced spin selectivity effect DOI Creative Commons
Brian P. Bloom, Zhongwei Chen, Haipeng Lu

et al.

National Science Review, Journal Year: 2024, Volume and Issue: 11(9)

Published: June 20, 2024

This review discusses opportunities in chemistry that are enabled by the chiral induced spin selectivity (CISS) effect. First, begins with a brief overview of seminal studies on CISS. Next, we discuss different material systems whose properties can be tailored through chemical means, special emphasis hybrid organic-inorganic layered materials exhibit some largest filtering to date. Then, promise CISS for reactions and enantioseparation before concluding.

Language: Английский

Citations

9
Chiral Induction at the Nanoscale and Spin Selectivity in Electron Transmission in Chiral Methylated BEDT-TTF derivatives DOI
Alberta Carella, Suryakant Mishra, Camilla Ferrari

et al.

Nanoscale, Journal Year: 2025, Volume and Issue: unknown

Published: Jan. 1, 2025

Tetramethyl-bis(ethylenedithio)-tetrathiafulvalene (TM-BEDT-TTF) enantiomers’ spin filtering and chiroptical properties are studied. Spin-filtering assessed by recording spin-polarized I – V curves (mc-AFM) of TM-BEDT-TTF fibrils.

Language: Английский

Citations

1
Influence of nonequilibrium vibrational dynamics on spin selectivity in chiral molecular junctions DOI Creative Commons
Rudolf Smorka, Samuel L. Rudge, Michael Thoss

et al.

The Journal of Chemical Physics, Journal Year: 2025, Volume and Issue: 162(1)

Published: Jan. 6, 2025

We explore the role of molecular vibrations in chirality-induced spin selectivity (CISS) effect context charge transport through a nanojunction. employ mixed quantum-classical approach that combines Ehrenfest dynamics for with hierarchical equations motion method electronic degrees freedom. This treats nonequilibrium manner, which is crucial nanojunctions. To vibrational on selectivity, we also introduce new figure merit, displacement polarization, quantifies difference displacements opposing lead magnetizations. analyze single trajectories, investigating how depends voltage and electronic-vibrational coupling. Furthermore, investigate temperature dependence ensemble-averaged observables. demonstrate correlated time indicating driving force CISS this model within approach.

Language: Английский

Citations

1
Operando evidence on the chirality-enhanced oxygen evolution reaction in intrinsically chiral electrocatalysts† DOI Creative Commons
Felipe A. Garcés‐Pineda, Jiahao Yu, Camilo A. Mesa

et al.

Chemical Science, Journal Year: 2025, Volume and Issue: unknown

Published: Jan. 1, 2025

Intrinsically chiral oxides show enhanced activity towards the oxygen evolution reaction in full cell electrolysers. Enantiopure active sites were detected operando by circular dichroism-spectro-electrochemical data.

Language: Английский

Citations

1
Spin effects in electrocatalysis: Mechanisms, catalyst engineering, modulation, and applications DOI

Sichen Huo,

Xinyu Wang, Yanjie Chen

et al.

Materials Science and Engineering R Reports, Journal Year: 2025, Volume and Issue: 164, P. 100967 - 100967

Published: March 5, 2025

Language: Английский

Citations

1
A Phase-Space View of Vibrational Energies without the Born–Oppenheimer Framework DOI
Xuezhi Bian,

Cameron Khan,

Titouan Duston

et al.

Journal of Chemical Theory and Computation, Journal Year: 2025, Volume and Issue: unknown

Published: March 12, 2025

We show that following the standard mantra of quantum chemistry and diagonalizing Born-Oppenheimer (BO) Hamiltonian ĤBO(R) is not optimal means to construct potential energy surfaces. A better approach diagonalize a phase-space electronic Hamiltonian, ĤPS(R, P), which parameterized by both nuclear position R momentum P. Such nonperturbative can be constructed using partial Wigner transform method has exactly same cost as BO for semiclassical calculation (and only slight increase in calculation). For three-particle system, with two heavy particles one light particle, numerical results produces meaningful momenta (which are completely ignored theory) but also far vibrational energies. As such, high level and/or systems degeneracies spin degrees freedom, we anticipate future structure packages will need take input just positions nuclei their momenta.

Language: Английский

Citations

1
Chiral π-Conjugated Double Helical Aminyl Diradical with the Triplet Ground State DOI
Haoxin Guo, Joshua Bennett Lovell,

Chan Shu

et al.

Journal of the American Chemical Society, Journal Year: 2024, Volume and Issue: 146(13), P. 9422 - 9433

Published: March 19, 2024

We report a neutral high-spin diradical of chiral C2-symmetric bis[5]diazahelicene with ΔEST ≈ 0.4 kcal mol–1, as determined by EPR spectroscopy/SQUID magnetometry. The is the most persistent among all aminyl radicals reported to date factor 20, half-life up 6 days in 2-MeTHF at room temperature. Its triplet ground state and excellent persistence may be associated unique spin density distribution within dihydrophenazine moiety, which characterizes two effective 3-electron C–N bonds analogous N–O bond nitroxide radical. enantiomerically enriched (ee ≥ 94%) (MM)- (PP)-enantiomers precursors diradicals are obtained either preparative supercritical fluid chromatography or resolution via functionalization auxiliary racemic tetraamine. barrier for racemization solid tetraamine ΔG‡ = 43 ± 0.01 mol–1 483–523 K range. experimentally estimated lower limit diradical, 26 293 K, comparable DFT-determined 31 gas phase 298 K. While pure displays strong chiroptical properties, anisotropy |g| |Δε|/ε 0.036 376 nm, 0.005 548 nm that recently ground-state dication. Notably, radical anion intermediate generation exhibits large SOMO-HOMO inversion, SHI 35 mol–1.

Language: Английский

Citations

7