Focus 26 January 2021

Inorganic and physical chemistry

From atoms and molecules, to supramolecular and nanoscale assemblies; from the gas phase to liquids and crystals, and matter under extreme conditions: this page highlights some of the most exciting works in physical chemistry and inorganic chemistry, aiming to explain the fundamental properties of matter, its response to non-equilibrium conditions, the dynamics of chemical reactivity and bonding behavior.

Featured articles

Lossless enrichment of trace analytes in levitating droplets for multiphase and multiplex detection

Efficient enrichment of molecules from liquids, solid objects, or the gas phase is critical for their detection at trace concentrations. Here, the authors report on the lossless enrichment of analytes in droplets using acoustic levitation for multiphase and multiplex SERS detection.
- Xueyan Chen
- Qianqian Ding
- Shikuan Yang
Article Open Access 17 Dec 2022 Nature Communications
Discovery of two-dimensional binary nanoparticle superlattices using global Monte Carlo optimization

Binary nanoparticle superlattices exhibit different collective optical, magnetic, and electronic properties. Here, the authors develop an efficient global optimization algorithm for the discovery of periodic 2D architectures forming at fluid interfaces.
- Yilong Zhou
- Gaurav Arya
Article Open Access 29 Dec 2022 Nature Communications
Heteroepitaxial chemistry of zinc chalcogenides on InP nanocrystals for defect-free interfaces with atomic uniformity

Heteroepitaxy on colloidal nanocrystals often yields defective heterostructures due to intricate reaction pathways. Here, the authors decode the surface chemistry at the molecular level to realise defect-free interfaces with atomic uniformity.
- Yeongho Choi
- Donghyo Hahm
- Jaehoon Lim
Article Open Access 3 Jan 2023 Nature Communications
Surface passivation of intensely luminescent all-inorganic nanocrystals and their direct optical patterning

All-inorganic nanocrystals are of great importance for a variety of electronic applications. Here, the authors use metal salts to remove organic ligands to obtain passivated nanocrystals with improved fluorescence yield for direct optical patterning.
- Pengwei Xiao
- Zhoufan Zhang
- Yuanyuan Wang
Article Open Access 4 Jan 2023 Nature Communications
Enhanced chiroptic properties of nanocomposites of achiral plasmonic nanoparticles decorated with chiral dye-loaded micelles

Circularly polarized luminescent materials with large dissymmetry and efficiency are in demand. Here, the authors investigate chirality-induced spin polarization in achiral gold nanorods decorated with chiral dye-loaded micelles to enhance chiroptic activity.
- Tonghan Zhao
- Dejing Meng
- Pengfei Duan
Article Open Access 5 Jan 2023 Nature Communications
Data-driven design of molecular nanomagnets

Three decades of research in molecular nanomagnets have enabled the preparation of compounds displaying magnetic memory at liquid nitrogen temperature. Here, the authors provide an innovative framework for the design of molecular magnets based on data mining, and develop an interactive dashboard to visualize the dataset.
- Yan Duan
- Lorena E. Rosaleny
- Alejandro Gaita-Ariño
Article Open Access 9 Dec 2022 Nature Communications
Chiral nanocrystals grown from MoS₂ nanosheets enable photothermally modulated enantioselective release of antimicrobial drugs

Chirality transfer from molecules to nanomaterials enables advanced optical functionalities. Here, the authors use exfoliated MoS₂ nanosheets to seed the growth of chiral Au nanoparticles to form Au/MoS₂ heterostructures for enantioselective drug release.
- Bang Lin Li
- Jun Jiang Luo
- Nian Bing Li
Article Open Access 26 Nov 2022 Nature Communications
Arginine-modified black phosphorus quantum dots with dual excited states for enhanced electrochemiluminescence in bioanalysis

Electrochemiluminescence is emitted via the radiative transition of a singlet or triplet excited state. Here, the authors propose an arginine modification of black phosphorus quantum dots that exhibits enhanced emission based on dual excited states.
- Siqi Yu
- Yu Du
- Huangxian Ju
Article Open Access 26 Nov 2022 Nature Communications
Photo-induced stress relaxation in reconfigurable disulfide-crosslinked supramolecular films visualized by dynamic wrinkling

The mechanics of reconfigurable supramolecular polymer networks are governed by their dynamic crosslinking chemistry and the resulting stress relaxations. Here, the authors use reversible wrinkling patterns to visualize localized stress relaxations, due to molecular network rearrangements.
- Shuzhen Yan
- Kaiming Hu
- Xuesong Jiang
Article Open Access 2 Dec 2022 Nature Communications
Precise atom manipulation through deep reinforcement learning

Engineering quantum states requires precise manipulations at the atomic level. Here, the authors use deep reinforcement learning to manipulate Ag adatoms on Ag surfaces, which combined with path planning algorithms enables autonomous atomic assembly.
- I-Ju Chen
- Markus Aapro
- Adam S. Foster
Article Open Access 5 Dec 2022 Nature Communications
Interplay of defect levels and rare earth emission centers in multimode luminescent phosphors

Information encryption technology calls for versatile multi-mode luminescent materials. Here, the authors develop phosphors with five integrated luminescence modes by exploiting the interplay of defect levels and rare-earth emission centers.
- Xinquan Zhou
- Lixin Ning
- Zhiguo Xia
Article Open Access 8 Dec 2022 Nature Communications
Direct synthesis of cyanate anion from dinitrogen catalysed by molybdenum complexes bearing pincer-type ligand

Direct conversion of dinitrogen to organonitrogen compounds is a challenging goal in nitrogen fixation chemistry. Here, the authors report the catalytic formation of cyanate anion from dinitrogen under ambient conditions using a molybdenum complex.
- Takayuki Itabashi
- Kazuya Arashiba
- Yoshiaki Nishibayashi
Article Open Access 24 Oct 2022 Nature Communications
Energy cascades in donor-acceptor exciton-polaritons observed by ultrafast two-dimensional white-light spectroscopy

Exciton-polaritons are hybridized light-matter states that exhibit intriguing phenomena that are unobserved in purely excitonic states. Here, the authors elucidate the photophysical mechanism of polariton-assisted long-range energy transfer in carbon nanotubes using two-dimensional white-light spectroscopy and quantum calculations.
- Minjung Son
- Zachary T. Armstrong
- Martin T. Zanni
Article Open Access 27 Nov 2022 Nature Communications
Observation of a transient intermediate in the ultrafast relaxation dynamics of the excess electron in strong-field-ionized liquid water

A unified picture of the electronic relaxation dynamics of ionized liquid water remains elusive despite decades of study. Here, the authors use few-cycle optical pump-probe spectroscopy and ab initio quantum dynamics to unambiguously identify a new transient intermediate in the relaxation pathway.
- Pei Jiang Low
- Weibin Chu
- Zhi-Heng Loh
Article Open Access 26 Nov 2022 Nature Communications
Covalent transfer of chemical gradients onto a graphenic surface with 2D and 3D control

Covalent modification is an essential chemical method for altering the physicochemical properties of material interfaces. Here, the authors show that the no-slip conditions in microfluidic devices grant spatiotemporal control over molecular grafting.
- Yuanzhi Xia
- Semih Sevim
- Josep Puigmartí-Luis
Article Open Access 16 Nov 2022 Nature Communications
Electrically responsive photonic crystals with bistable states for low-power electrophoretic color displays

Conventional electrophoretic color displays require a permanent electric field, increasing power consumption. Here, the authors report an electrically responsive photonic crystal with switchable bistable states by particle rearrangement for low power consumption displays.
- Qianqian Fu
- Wenyuan Yu
- Jianping Ge
Article Open Access 16 Nov 2022 Nature Communications
A charged diatomic triple-bonded U≡N species trapped in C₈₂ fullerene cages

Diatomic actinide molecules are ideal models for studying rare multiple-bond motifs. Here, the authors report host-guest structures of metastable charged U≡N diatoms confined in fullerene cages and stabilized by coordinative electron transfer.
- Qingyu Meng
- Laura Abella
- Ning Chen
Article Open Access 23 Nov 2022 Nature Communications
The coupling of the hydrated proton to its first solvation shell

The Zundel [H(H₂O)₂]⁺ and Eigen [H(H₂O)₄]⁺ cations exhibit radicallly different infrared spectra and are the limiting dynamical structures involved in proton mobility in liquid water. Here, the authors find through quantum dynamics simulations that two polarized water molecules and a proton suffice to explain the key spectroscopic features connected to proton mobility for both species.
- Markus Schröder
- Fabien Gatti
- Oriol Vendrell
Article Open Access 18 Oct 2022 Nature Communications
Machine learning the Hohenberg-Kohn map for molecular excited states

Density functional theory provides a formal map from the electron density to all observables of interest of a many-body system; however, maps for electronic excited states are unknown. Here, the authors demonstrate a data-driven machine learning approach for constructing multistate functionals.
- Yuanming Bai
- Leslie Vogt-Maranto
- William J. Glover
Article Open Access 17 Nov 2022 Nature Communications
Absolute frequency metrology of buffer-gas-cooled molecular spectra at 1 kHz accuracy level

High-resolution molecular spectroscopy with cryogenic setups is hampered by the lack of a skilled interrogation tool. Here, the authors demonstrate absolute metrology of cold rovibrational spectra at 1 kHz accuracy level, by coupling a Lamb-dip saturated-absorption cavity ring-down spectrometer to a buffer-gas cooling source.
- Roberto Aiello
- Valentina Di Sarno
- Pasquale Maddaloni
Article Open Access 16 Nov 2022 Nature Communications
Towards the engineering of a photon-only two-stroke rotary molecular motor

Improving the efficiency of light-driven molecular rotary motors is a challenging task. Here, the authors combine theoretical modeling, synthesis and spectroscopy to prepare a prototype molecular motor capable of avoiding inefficient thermally activated motion; thus offering prospects to implement a 2-stroke photon-only molecular motor.
- Michael Filatov(Gulak)
- Marco Paolino
- Massimo Olivucci
Article Open Access 28 Oct 2022 Nature Communications
Effective screening of Coulomb repulsions in water accelerates reactions of like-charged compounds by orders of magnitude

The reaction speed of like-charged compounds in water is extremely slow due to Coulomb repulsions. Here, the authors boost kinetics up to 5 million times by screening these interactions and increasing the local concentration of reactants using positively charged micelles. They show the effect for two independent systems and present a theoretical explanation.
- Adam Kowalski
- Krzysztof Bielec
- Robert Holyst
Article Open Access 28 Oct 2022 Nature Communications
Direct in situ photolithography of perovskite quantum dots based on photocatalysis of lead bromide complexes

Perovskite nanomaterials may suffer degradation during conventional photolithography. Here, the authors report a non-destructive method for patterning perovskite quantum dots based on direct photopolymerization catalyzed by lead bromide complexes.
- Pingping Zhang
- Gaoling Yang
- Haizheng Zhong
Article Open Access 7 Nov 2022 Nature Communications
Symmetry-breaking in patch formation on triangular gold nanoparticles by asymmetric polymer grafting

Patchy nanoparticles are desirable building blocks for the guided assembly of functional superstructures. Here, the authors demonstrate quantitative control over asymmetric polymer grafting on triangular Au nanoprisms based on polymer scaling theory.
- Ahyoung Kim
- Thi Vo
- Qian Chen
Article Open Access 9 Nov 2022 Nature Communications
Remodeling nanodroplets into hierarchical mesoporous silica nanoreactors with multiple chambers

Multi-chambered structures have attracted great attention due to their ability to create multifunctional partitions in different chambers. Here, the authors prepared mesoporous silica nanoreactors with hierarchical chambers for catalytic cascades.
- Yuzhu Ma
- Hongjin Zhang
- Dongyuan Zhao
Article Open Access 17 Oct 2022 Nature Communications
Selective activation of four quasi-equivalent C–H bonds yields N-doped graphene nanoribbons with partial corannulene motifs

Selective activation of C–H bonds is a key challenge in organic reactions. Here, the authors achieve the selective activation of four quasi-equivalent C–H bonds, leading to the formation of N-doped graphene nanoribbons with partial corannulene motifs.
- Yixuan Gao
- Li Huang
- Hong-Jun Gao
Article Open Access 17 Oct 2022 Nature Communications
Atomically precise control of rotational dynamics in charged rare-earth complexes on a metal surface

Rare-earth elements are vital to advanced technological applications ranging from spintronic devices to quantum information science. Here, the authors formed charged rare-earth complexes on a material surface and demonstrated atomically precise control on their rotational dynamics.
- Tolulope Michael Ajayi
- Vijay Singh
- Saw Wai Hla
Article Open Access 22 Oct 2022 Nature Communications
Chiral molecular imprinting-based SERS detection strategy for absolute enantiomeric discrimination

Absolute chiral discrimination in chiral imprinted systems is complicated by the nonspecific binding of enantiomers. Here, the authors report a SERS “inspector” recognition mechanism to distinguish between specifically and nonspecifically bound enantiomers, even in seawater and urine.
- Maryam Arabi
- Abbas Ostovan
- Lingxin Chen
Article Open Access 30 Sep 2022 Nature Communications
Evolution of Br⋯Br contacts in enantioselective molecular recognition during chiral 2D crystallization

Halogen-mediated interactions control molecular recognition in many chemical and biological systems. Here, the authors demonstrate two types of Br⋯Br contacts and their importance in chiral on-surface crystallization.
- Zhen-Yu Yi
- Xue-Qing Yang
- Li-Jun Wan
Article Open Access 4 Oct 2022 Nature Communications
Evidence of exciton-libron coupling in chirally adsorbed single molecules

Vibronic coupling in molecules plays an essential role in photophysics. Here, the authors observe optical fingerprints of the coupling between librational states and charged excited states in a single phthalocyanine molecule chirally absorbed on a surface.
- Jiří Doležal
- Sofia Canola
- Martin Švec
Article Open Access 12 Oct 2022 Nature Communications
Assembly-induced spin transfer and distance-dependent spin coupling in atomically precise AgCu nanoclusters

The assembly of atomically precise clusters into ordered superstructures enables new functional material designs. Here, the authors propose a strategy for linear arrangements of AgCu clusters and explore the consequent transfer and coupling of magnetic spins.
- Nan Xia
- Jianpei Xing
- Zhikun Wu
Article Open Access 8 Oct 2022 Nature Communications
Chiral superstructures of inorganic nanorods by macroscopic mechanical grinding

Chiroptic materials made of self-assembled nanomaterials are essential for advanced optical applications. Here, the authors show that macroscopic grinding can break the symmetry in achiral superlattices of inorganic nanorods, generating chiral superstructures.
- Zhiwei Yang
- Yanze Wei
- Zhijie Yang
Article Open Access 4 Oct 2022 Nature Communications
Coemissive luminescent nanoparticles combining aggregation-induced emission and quenching dyes prepared in continuous flow

Developing efficient light harvesting systems at low cost is a challenge. Here, the authors synthesized coemissive dyes in a continuous flow microreactor featuring a controlled cascade FRET process combining aggregation-induced emission and quenching.
- Chong Li
- Qi Liu
- Shengyang Tao
Article Open Access 13 Oct 2022 Nature Communications
Plasmonic high-entropy carbides

Tunable plasmonic materials capable of surviving harsh environments are critical for advanced applications. Here, the authors report that some high-entropy transition-metal carbides can satisfy the requirements.
- Arrigo Calzolari
- Corey Oses
- Stefano Curtarolo
Article Open Access 11 Oct 2022 Nature Communications
Direct strain correlations at the single-atom level in three-dimensional core-shell interface structures

Understanding 3D interfacial strain at the atomic level has been a long-sought challenge in the field of core-shell nanomaterials. Here, the authors address this challenge by revealing the full 3D atomic structures of Pd@Pt core-shell nanoparticles
- Hyesung Jo
- Dae Han Wi
- Yongsoo Yang
Article Open Access 10 Oct 2022 Nature Communications
Covalent bond shortening and distortion induced by pressurization of thorium, uranium, and neptunium tetrakis aryloxides

The properties of actinide complexes depend on the ionic versus covalent nature of the bonds. Here, the authors report that pressure can distort actinide-oxygen bonding; differences seen for Th, U and Np result from the decreasing size of the atoms.
- Jacob J. Shephard
- Victoria E. J. Berryman
- Simon Parsons
Article Open Access 7 Oct 2022 Nature Communications
Nanoconfinement facilitates reactions of carbon dioxide in supercritical water

Aqueous CO₂under nanoconfinement is of great importance to the carbon storage and transport in Earth. Here, the authors apply ab initio molecular dynamics simulations to study the effects of confinement and interfaces, and show that that CO(aq) reacts more in nanoconfinement than in bulk.
- Nore Stolte
- Rui Hou
- Ding Pan
Article Open Access 8 Oct 2022 Nature Communications
Manipulation of time-dependent multicolour evolution of X-ray excited afterglow in lanthanide-doped fluoride nanoparticles

X-ray activated afterglow nanomaterials are desirable components for advanced optoelectronic applications. Here, the authors present pathways to modulate the stimulus-responsive color emissions in lanthanide-doped fluoride core-shell nanoparticles.
- Lei Lei
- Yubin Wang
- Shiqing Xu
Article Open Access 30 Sep 2022 Nature Communications
Imaging Cu₂O nanocube hollowing in solution by quantitative in situ X-ray ptychography

Observing morphological changes of nanoparticles in solution requires advanced in-situ imaging methods. Here, the authors use X-ray ptychography to image the growth and hollowing of Cu₂O nanocubes in 3D.
- Lukas Grote
- Martin Seyrich
- Dorota Koziej
Article Open Access 29 Aug 2022 Nature Communications
Double-crowned 2D semiconductor nanoplatelets with bicolor power-tunable emission

Nanocrystals are desirable light sources for advanced display technologies. Here, the authors report on double-crowned 2D semiconductor nanoplatelets as light downconverters that offer both green and red emissions to achieve a wide color gamut.
- Corentin Dabard
- Victor Guilloux
- Sandrine Ithurria
Article Open Access 30 Aug 2022 Nature Communications
Triple ionization and fragmentation of benzene trimers following ultrafast intermolecular Coulombic decay

Higher-order aromatic clusters are prevalent in biochemical systems, but a full understanding of their structural and dynamical properties is lacking. Here, the authors demonstrate that inner-valence ionization can induce ultrafast relaxation and further fragmentation mechanisms in benzene trimers.
- Jiaqi Zhou
- Xitao Yu
- Xueguang Ren
Article Open Access 10 Sep 2022 Nature Communications
Microbial biofilms as living photoconductors due to ultrafast electron transfer in cytochrome OmcS nanowires

Despite enormous potential of solar-driven biocatalysis, most living systems lack photoactive proteins and require toxic and expensive synthetic materials limiting the performance. Here, a class of natural photoconductors is demonstrated through sub-picosecond heme-to-heme electron transfer in bacteria-produced protein nanowires.
- Jens Neu
- Catharine C. Shipps
- Nikhil S. Malvankar
Article Open Access 7 Sep 2022 Nature Communications
Nanoscale 3D spatial addressing and valence control of quantum dots using wireframe DNA origami

Programming the 3D spatial organization of quantum dots requires precise control over their individual valence, but this is challenging due to the possible presence of multiple binding sites. Here, authors develop a general approach that uses highly programmable wireframe DNA origami structures to control the 3D spatial relationships between QDs and other non-nucleic-acid molecules.
- Chi Chen
- Xingfei Wei
- Mark Bathe
Article Open Access 23 Aug 2022 Nature Communications
Momentum-selective orbital hybridisation

When a molecule interacts chemically with a metal, its orbitals hybridise with metal states to form the new eigenstates of the coupled system. Here, the authors show that in addition to overlap in real space and energy, hybridizing states must fulfil a momentum-matching condition.
- Xiaosheng Yang
- Matteo Jugovac
- F. Stefan Tautz
Article Open Access 2 Sep 2022 Nature Communications
Electron-phonon coupling and vibrational properties of size-selected linear carbon chains by resonance Raman scattering

H-capped polyynes are the simplest system to observe finite-length effects in carbyne. Here, the authors exploit synchrotron-based UV resonance Raman spectroscopy to explain a peculiar intensity behavior of multiple phonons scattering and show a size-dependent electron-phonon coupling.
- P. Marabotti
- M. Tommasini
- C. S. Casari
Article Open Access 27 Aug 2022 Nature Communications
Attosecond dynamics of multi-channel single photon ionization

Understanding of photoionization dynamics, one of the fastest processes in nature, requires the characterization of all underlying ionization channels. Here the authors use an interferometry technique based on attosecond pulses to measure the phase and amplitude of the individual angular momentum channels in the photoionization of neon.
- Jasper Peschel
- David Busto
- Per Eng-Johnsson
Article Open Access 3 Sep 2022 Nature Communications
Three-dimensional nanoframes with dual rims as nanoprobes for biosensing

Most SERS-active nanostructures suffer from low robustness against misalignment to field polarization. Here, the authors demonstrate three-dimensional nanoframes of octahedral geometry, with two rims engraved on each facet, as polarization-independent SERS nanoprobes.
- Hajir Hilal
- Qiang Zhao
- Sungho Park
Article Open Access 16 Aug 2022 Nature Communications
Steering the multiexciton generation in slip-stacked perylene dye array via exciton coupling

Understanding structure-property relationship of dye arrays is of great importance for designing organic photonic and photovoltaic materials. Here, authors present a slip-stacked perylene bisimide array as a model system to investigate singlet fission mechanisms by depending upon interchromophoric interaction.
- Yongseok Hong
- Maximilian Rudolf
- Frank Würthner
Article Open Access 2 Aug 2022 Nature Communications
Photochemical spin-state control of binding configuration for tailoring organic color center emission in carbon nanotubes

Chemical functionalization of the sidewalls of single-wall carbon nanotubes (SWCNTs) is an emerging route to introduce fluorescent quantum defects and tailor the emission properties. Here, authors demonstrate that spin-selective photochemistry diversifies SWCNT emission tunability by controlling the morphology of the emitting sites.
- Yu Zheng
- Yulun Han
- Sergei Tretiak
Article Open Access 1 Aug 2022 Nature Communications
Adenine oligomer directed synthesis of chiral gold nanoparticles

Chiral plasmonic nanoparticles are of great interest in nanotechnology. Here, the authors demonstrate chiral shape guidance by single-stranded oligonucleotides during particle growth based on sequence-specific hydrogen bonding within the strand.
- Nam Heon Cho
- Young Bi Kim
- Ki Tae Nam
Article Open Access 2 Jul 2022 Nature Communications
Conformational heterogeneity of molecules physisorbed on a gold surface at room temperature

Tip-enhanced vibrational spectroscopy at room temperature is complicated by molecular conformational dynamics, photobleaching, contaminations, and chemical reactions in air. This study demonstrates that a sub-nm protective layer of Al₂O₃ provides robust conditions for probing single-molecule conformations.
- Mingu Kang
- Hyunwoo Kim
- Kyoung-Duck Park
Article Open Access 15 Jul 2022 Nature Communications
Nesting of multiple polyhedral plasmonic nanoframes into a single entity

The spatial configuration of nanostructure building blocks determines the physical and optical properties of their superstructures. Here, the authors report on complex nanoparticles in which different geometric forms of nanoframes are nested into a single entity by multistep chemical reactions.
- Sungjae Yoo
- Jaewon Lee
- Sungho Park
Article Open Access 4 Aug 2022 Nature Communications
Precise electrical gating of the single-molecule Mizoroki-Heck reaction

Guiding chemical reactions in a predictable and controllable manner is an ultimate goal of chemistry. Here, the authors show tuning of the single-molecule Mizoroki-Heck catalytic cycle through electrical gating and direct in-situ detection.
- Lei Zhang
- Chen Yang
- Xuefeng Guo
Article Open Access 5 Aug 2022 Nature Communications
Paramagnetic encoding of molecules

Molecules offer enormous capacity for information storage. Here, the authors show that information can be encoded into molecules with sequences of paramagnetic lanthanide ions, and decoded using nuclear magnetic resonance spectroscopy.
- Jan Kretschmer
- Tomáš David
- Miloslav Polasek
Article Open Access 8 Jun 2022 Nature Communications

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