Physical chemistry articles within Nature Communications

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  • Article
    | Open Access

    While clusters in calcium orthophosphate nucleation have long been known, their speciation and mechanistic pathways to hydroxyapatite remain debated. Here the authors report a revision of ion association in the calcium phosphate system and explore the consequences thereof on the early stages of phase separation.

    • David P. McDonogh
    • , Julian D. Gale
    •  & Denis Gebauer
  • Article
    | Open Access

    Multiple autocatalytic reactions producing thiols are known, but negative feedback loop motifs are unavailable for thiol chemistry. Here, the authors develop a negative feedback loop based on the selenocarbonates, in which thiols induce the release of aromatic selenols that catalyze the oxidation of thiols by organic peroxides.

    • Xiuxiu Li
    • , Polina Fomitskaya
    •  & Sergey N. Semenov
  • Article
    | Open Access

    Chiral recognition of amino acids with luminescence, despite its advantages, is usually slow and lacks generality. Here, the authors demonstrate that L-phenylalanine derived benzamide can manifest the structural difference between the natural, left-handed amino acid and its right-handed counterpart via the difference in room-temperature phosphorescence, irrespective of the specific chemical structure.

    • Xiaoyu Chen
    • , Renlong Zhu
    •  & Guoqing Zhang
  • Article
    | Open Access

    The correlation between asymmetric molecular geometry of non-fullerene acceptors and their optoelectronic properties was unclear. Here, the authors found asymmetric ones exhibit increased open-circuit voltage compared to their symmetric counterparts due to reduced non-radiative charge recombination.

    • Jinfeng Huang
    • , Tianyi Chen
    •  & Lijian Zuo
  • Article
    | Open Access

    Photosynthesis in biological systems occurs in a noisy environment that reduces the lifetime of coherences in the excitation energy transfer. Here the author demonstrate that long-lasting coherences are protected by quantum phase synchronization, realized in dimers by exciton-vibrational coupling where energy dissipation occurs predominantly in resonant anti-symmetric collective modes.

    • Ruidan Zhu
    • , Wenjun Li
    •  & Yuxiang Weng
  • Article
    | Open Access

    Here the authors induce asymmetric transmission in planar Fabry–Pérot microcavities by embedding organic thin films exhibiting apparent circular dichroism (ACD), an optical phenomenon based on 2D chirality.

    • Tzu-Ling Chen
    • , Andrew Salij
    •  & Randall H. Goldsmith
  • Article
    | Open Access

    Radicals are expected to be inactive on metal surfaces. Here the authors describe general intermolecular radical transfer reactions on Ag and Cu surfaces and confirm the reaction mechanism by extensive control experiments.

    • Junbo Wang
    • , Kaifeng Niu
    •  & Lifeng Chi
  • Article
    | Open Access

    Current desalination technologies are energy intensive and suffer from membrane degradation and fouling. Here, authors propose and explore the potential of thermodiffusion as a means of membrane-free, single-phase thermal desalination. A pathway towards a feasible thermodiffusive desalination is provided.

    • Shuqi Xu
    • , Alice J. Hutchinson
    •  & Juan F. Torres
  • Article
    | Open Access

    The authors demonstrate that the band structure of graphene nanoribbons is modulated by cove edges, brightening the luminescence 4-fold via emission from otherwise dark twilight states. High spectral resolution of the optical response reveals strong vibron-electron coupling

    • Bernd K. Sturdza
    • , Fanmiao Kong
    •  & Robin J. Nicholas
  • Article
    | Open Access

    Aqueous batteries have a short lifespan due to Al current collector corrosion and Li loss from side reactions on the anode. Here, the authors propose a prototype of self-prolonging aqueous Li-ion batteries by introducing hydrolyzation-type anodic additives to regulate Al corrosion-passivation.

    • Binghang Liu
    • , Tianshi Lv
    •  & Liumin Suo
  • Article
    | Open Access

    The formation of C–H bonds via reaction of small inorganic molecules is of great interest for understanding the transition from inorganic to organic matter, but the detailed mechanisms remain elusive. Here, the authors demonstrate real-time visualization and coherent control of the ultrafast C–H bond formation dynamics in a light-induced bimolecular reaction from inorganic species.

    • Zhejun Jiang
    • , Hao Huang
    •  & Jian Wu
  • Article
    | Open Access

    Amyloid fibrils are ordered protein assemblies implicated in neurodegenerative disease. Here the authors show that hairpin trimers can be transition states of fibril nucleation, explaining how different fibril isoforms may arise from alternative nucleation sites.

    • Levent Sari
    • , Sofia Bali
    •  & Milo M. Lin
  • Article
    | Open Access

    Li et al. report large circular dichroism in 2D chiral perovskite single crystals, arises from the inorganic sublattice, instead of chiral ligands, driven by electron-hole exchange interactions. This is evidenced by both reflective circular dichroism spectroscopy and ab initio theory.

    • Shunran Li
    • , Xian Xu
    •  & Peijun Guo
  • Article
    | Open Access

    Bioimaging with photocontrol and multiplexing capability is vital for studying cellular interactions and dynamics, but multiplexed stimulated Raman scattering (SRS) imaging with reversible photocontrol is elusive. Here, the authors report SRS microscopy with Carbow-switch enabling multiplexed SRS imaging and tracking in live cells with reversible photocontrol and high spatiotemporal selectivity.

    • Yueli Yang
    • , Xueyang Bai
    •  & Fanghao Hu
  • Article
    | Open Access

    The interconversion of the two spin isomers of formaldehyd has been studied in the gas phase but has never been observed experimentally in the condensed phase. Here the authors report the encapsulation of formaldehyde inside C60 cages and observe spin-isomer conversion of the formaldehyde guest molecules in the cryogenic solid state.

    • Vijyesh K. Vyas
    • , George R. Bacanu
    •  & Richard J. Whitby
  • Article
    | Open Access

    Solvated electrons can be formed through photo-induced charge-transfer-to-solvent electronic states of halide ions in water. Here, the authors use machine learning accelerated molecular dynamics simulations to follow the evolution of these states for aqueous iodide in detail.

    • Jinggang Lan
    • , Majed Chergui
    •  & Alfredo Pasquarello
  • Article
    | Open Access

    Strong light-matter interactions in optical microcavities can be used to control molecular kinetic and thermodynamic phenomena. Here, the authors introduce a theory that describes the nonperturbative effects of infrared microcavities on chemical equilibria.

    • Kaihong Sun
    •  & Raphael F. Ribeiro
  • Article
    | Open Access

    The strong ionic bond in salt is broken by electrostatic interactions with water, but direct observation at the level of a single ion is challenging. Here, the authors have visualized the preferential dissolution of an anion by manipulating a single water molecule.

    • Huijun Han
    • , Yunjae Park
    •  & Hyung-Joon Shin
  • Article
    | Open Access

    Malakar et al. investigate the photochemical dynamics in the isomerization of bacteriorhodopsin light and dark-adapted forms and in the first photocycle intermediate, K. The results prompt a reevaluation of the counter ion model, revealing that a different protonation then that shown in the classic quadrupole so far considered must be employed to account for the experimental data.

    • Partha Malakar
    • , Samira Gholami
    •  & Sanford Ruhman
  • Article
    | Open Access

    What is static charge? Analysis of molecularly well-defined surfaces shows that static charge is an ionic molecular fragment. Contact electrification causes the heterolytic cleavage of covalent bonds, generating these fragments.

    • Yan Fang
    • , Chi Kit Ao
    •  & Siowling Soh
  • Article
    | Open Access

    Computing platforms based on chemical processes can be an alternative to digital computers in some scenarios but have limited programmability. Here the authors demonstrate a hybrid computing platform combining digital electronics and an oscillatory chemical reaction and demonstrate its computational capabilities.

    • Abhishek Sharma
    • , Marcus Tze-Kiat Ng
    •  & Leroy Cronin
  • Article
    | Open Access

    The nature of the molecule-metal interface is crucial for many technological applications. Here, the authors show that the photostability of the material can be sensitive to room light when coated with a single molecular layer, with implications for devices and processes.

    • Chenyang Guo
    • , Philip Benzie
    •  & Jeremy J. Baumberg
  • Article
    | Open Access

    By performing long ab initio molecular dynamics simulations of water under external electric fields, for up to 500 picoseconds, the authors identify a transition to a ferroelectric amorphous phase at ambient conditions.

    • Giuseppe Cassone
    •  & Fausto Martelli
  • Article
    | Open Access

    Understanding excitonic optical excitations is integral to improving optoelectronic and photovoltaic semiconductor devices. Here, Bennecke et al. use photoemission exciton tomography to unravel the multiorbital electron and hole contributions of entangled excitonic states in the prototypical organic semiconductor C60.

    • Wiebke Bennecke
    • , Andreas Windischbacher
    •  & Stefan Mathias
  • Article
    | Open Access

    Graphene oxide is in demand for various applications - however, this is complicated by changing physicochemical properties over time. Here, the authors show the intrinsic, metastable, and transient states of graphene oxide colloids upon ripening.

    • Hayato Otsuka
    • , Koki Urita
    •  & Katsumi Kaneko
  • Article
    | Open Access

    Metal-metal interfaces hold promise as contacting moieties for single-molecule devices with tunable functionality, yet the direct bonding has remained a challenge. Here, Lee et al. report the formation of Fe-Au bond without chemical ligand support in ferrocene-based molecular junctions.

    • Woojung Lee
    • , Liang Li
    •  & Latha Venkataraman
  • Article
    | Open Access

    Using femtosecond time-resolved heterodyne-detected vibrational sum-frequency generation spectroscopy the authors determine the vibrational relaxation (T1) time of the O-H stretch at the air/water interface by observing the decay of excited-state OH signals, providing a comprehensive picture of the interfacial vibrational relaxation process of water.

    • Woongmo Sung
    • , Ken-ichi Inoue
    •  & Tahei Tahara
  • Article
    | Open Access

    Obtaining high-temperature phosphorescence in organic materials can potentially lead to broader applications, but can be challenging to achieve. Here, the authors report the use of rigid molecules as both host and guest to give temperature resistance and therefore high-temperature phosphorescence.

    • Kaijun Chen
    • , Yongfeng Zhang
    •  & Xiang Ma
  • Article
    | Open Access

    Coacervate-based compartments are attractive as potential protocells, but formation and control of the compartments can be challenging. Here, the authors report the spontaneous formation of core-shell, cell-sized coacervate compartments driven by droplet evaporation.

    • Cheng Qi
    • , Xudong Ma
    •  & Zhou Liu
  • Article
    | Open Access

    The charge-transfer reaction Ar++N2 → Ar+N2+ has been largely studied as a model gas-phase reaction but many aspects remain to be understood. Here, differential cross sections of the reaction are measured and calculated with Ar+ prepared in 2P1/2 state, showing that the charge-transfer dynamics differs significantly for Ar+(2P1/2) compared to Ar+(2P3/2) when colliding with N2.

    • Guodong Zhang
    • , Dandan Lu
    •  & Hong Gao
  • Article
    | Open Access

    Photoredox catalysis is an important approach for synthesizing fine chemicals from olefins, but the limited lifetime of radical cation intermediates severely restricts the efficiency. Here, the authors report that Ag3PO4 can efficiently catalyze intramolecular and intermolecular [2 + 2] and Diels–Alder cycloadditions under visible-light irradiation.

    • Lirong Guo
    • , Rongchen Chu
    •  & Yifeng Wang
  • Article
    | Open Access

    In-situ cryo-electron microscopy in thin amorphous ice films and ice-dynamics simulations reveal polymorph-dependent growth kinetics of nanoscale ice crystals. Hetero-crystalline ice exhibits anisotropic growth: fast-growing facets are associated with low-density interfaces, driving tetrahedral ordering of interfacial H2O molecules and accelerating ice growth.

    • Minyoung Lee
    • , Sang Yup Lee
    •  & Dong June Ahn
  • Article
    | Open Access

    Artificial ion channels have potential in a range of applications, but achieving performance comparable to biological channels has been challenging. Here, the authors report an artificial, light-driven chloride pump, inspired by halorhodopsin, with a helical porphyrin channel array.

    • Chao Li
    • , Yi Zhai
    •  & Lei Jiang
  • Article
    | Open Access

    Here the authors combine 19 F NMR and femtosecond transient absorption to characterise the structural origin of the multiphasic quenching dynamics in various species of BLUF domains, highlighting the importance of the heterogeneous active-site H-bond network.

    • Yalin Zhou
    • , Siwei Tang
    •  & Dongping Zhong
  • Article
    | Open Access

    Common methods for regulating metal-support interactions for single-atom catalysts usually suffer from interference of the variation of supports or sacrificing the stability of catalysts. Here, the authors report a facile electrochemical deposition strategy to design highly active oxygen evolution catalysts with site-specific metal-support interactions via selective anchoring of single atoms.

    • Jie Wei
    • , Hua Tang
    •  & Jie Zeng