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

Molecular-resolution imaging of ice crystallized from liquid water by cryogenic liquid-cell TEM

Although ice plays a crucial role in shaping our ecosphere, its microstructures formed by freezing water remain unclear. Here, the authors employ cryogenic liquid-cell TEM to gain atomic-level insights into ice defects frozen from liquid water.
- Jingshan S. Du
- Suvo Banik
- James J. De Yoreo
ArticleOpen Access25 Sep 2025 Nature Communications
Atomic-resolution imaging reveals nucleus-free crystallization in two-dimensional amorphous ice on graphite

The crystallization mechanism at reduced dimensions remains poorly understood. Here, the authors use AFM and MD simulations to elucidate the nucleus-free crystallization of two-dimensional ice at atomic resolution.
- Zi-Feng Yuan
- Ye Tian
- Limei Xu
ArticleOpen Access29 Sep 2025 Nature Communications
Observation of a guest-free Si₄₆ clathrate-I framework from Ba_8-xSi₄₆ upon in situ vacuum heating

Preparation of a pure Si₄₆ framework in the clathrate-I structure is a challenge. Here, the authors demonstrate the stepwise Ba evacuation process and observe a guest-free Si₄₆ framework from Ba_8-xSi₄₆ using atomic-scale STEM imaging during in-situ heating.
- Yi Zhou
- Qing Zhang
- Osamu Terasaki
ArticleOpen Access17 Oct 2025 Nature Communications
Kinetic selectivity in metal-organic framework chemical sensors

This work introduces the kinetic selectivity achievable in nanoporous crystals into the field of chemical sensors, opening the door for selective VOC detection in health, safety, and environmental monitoring
- Aleksander MatavÅ¾
- Margot F. K. Verstreken
- Rob Ameloot
ArticleOpen Access24 Sep 2025 Nature Communications
Synthesis, reactivity and nucleophilicity of carboranyl-B-Mg compound

While boron is usually characterized as a Lewis acid and an electrophile, nucleophilic boron anions have recently attracted tremendous research interest. Here, the authors report the synthesis and structure of a nucleophilic boron anionic salt featuring an exo-polyhedral Bâ€“Mg bond.
- Yizhen Liu
- Jie Zhang
- Zuowei Xie
ArticleOpen Access8 Oct 2025 Nature Communications
Activation entropy of dislocation glide in body-centered cubic metals from atomistic simulations

The authors use atomistic calculations with machine-learned interatomic potentials to show that dislocation motion in metals like iron and tungsten involves a nearly constant activation entropy, challenging prior models and improving strength predictions.
- Arnaud Allera
- Thomas D. Swinburne
- David Rodney
ArticleOpen Access24 Sep 2025 Nature Communications
Decoding structural transitions from CdSe nanoclusters to quantum dots through dynamic nuclear polarization NMR

Engineering of semiconductor nanocrystals requires a detailed understanding of their formation. Here, the authors use signal-enhanced NMR and theoretical calculations to decode the structural transition from metastable CdSe clusters to mature quantum dots.
- Yunyao Xu
- Lichirui Zhang
- Ann E. McDermott
ArticleOpen Access26 Sep 2025 Nature Communications
Hydrogenation of saturated organic and inorganic molecules in metallic hydrogen

Metallic hydrogen environments exist in the cores of gas-giant planets. Here the authors study the solubility of light elements in metallic hydrogen and predict the formation of â€œhypermoleculesâ€ from hydrogenation of normally saturated molecules.
- Jakkapat Seeyangnok
- Udomsilp Pinsook
- Graeme J. Ackland
ArticleOpen Access29 Sep 2025 Nature Communications
Distinct solvation patterns of OH^âˆ’ versus H₃O⁺ charge defects at electrified gold/water interfaces govern their properties

H₃O⁺ and OH^âˆ’ mediate electrochemical processes at water/metal electrode interfaces. Here, the authors show that these ions form distinct solvation structures on electrified gold surfaces: OH⁺ remains in close contact with the electrode, while H₃O⁺ resides farther away.
- Chanbum Park
- Soumya Ghosh
- Dominik Marx
ArticleOpen Access19 Sep 2025 Nature Communications
Twisted bilayer Ice as a new class of hydrogen-bonding moirÃ© materials

Existing MoirÃ© materials are mostly van der Waals heterostructures. Here the authors show that hydrogen-bond adaptability allows spontaneous formation of twisted bilayer ice at magic angles in 2D confinement, establishing a new class of MoirÃ© materials.
- Liya Wang
- Jian Jiang
- Xiao Cheng Zeng
ArticleOpen Access1 Oct 2025 Nature Communications
Probing catalyst-free hydroxyl radical generation at microbubble interfaces

Microbubble interfaces exhibit unique chemical reactivity. Here, the authors visualize catalyst-free hydroxyl radical generation at nitrogen microbubbles, enabling pollutant degradation and sustainable nitrogen fixation under mild conditions.
- Si-Yu Yang
- Wei Wang
- Xian-Wei Liu
ArticleOpen Access3 Oct 2025 Nature Communications
Exploring the relative influence of atomic parameters on solid solution strengthening

Previous models explain solid-solution strengthening by differences in atomic volume and electronegativity of the constituent atoms. Here, the authors consider both factors simultaneously and identify atomic volume as the dominant factor for FCC alloys.
- P. H. F. Oliveira
- C. L. G. P. Martins
- F. G. Coury
ArticleOpen Access6 Oct 2025 Nature Communications
Vibrationally-dependent molecular dynamics in mutual neutralisation reactions of molecular oxygen ions

The products and dynamics in mutual neutralisation of \({{{{\rm{O}}}}_{2}}^{+}\) with O^âˆ’ occurring in atmospheric sprites are unknown. Here, the authors reveal a dissociative two-step mechanism via intermediate Rydberg states and a dependence on the \({{{{\rm{O}}}}_{2}}^{+}\) vibrational state.
- Mathias Poline
- Arnaud Dochain
- Richard D. Thomas
ArticleOpen Access26 Sep 2025 Nature Communications
Inverted temperature gradients in goldâ€“palladium antenna-reactor nanoparticles

When light is absorbed by metal nanoparticles, electromagnetic energy is focused far beyond the diffraction limit. Here, the authors show that this energy can be further localized by the dissipation of energy within a bimetallic antenna-reactor system into attached palladium satellites.
- Felix Stete
- Shivani Kesarwani
- Holger Lange
ArticleOpen Access1 Sep 2025 Nature Communications
Revealing disorder parameter and deformation electron density using electron diffraction

In this work, electron diffraction is used to measure the disorder parameter, Debye-Waller factors, and deformation electron density of FePd alloys. Chemical disorder raises atomic displacements but minimally alters deformation electron density.
- Weixiao Lin
- Zefan Xue
- Xiahan Sang
ArticleOpen Access1 Jul 2025 Nature Communications
Pseudo-Landau levels splitting triggers quantum friction at folded graphene edge

Understanding and controlling the quantum friction remain challenging. Here, the authors reveal pseudo-Landau levels splitting induced quantum friction at solid-solid interfaces via engineering the nanocurvature geometry of folded graphene edges.
- Xinchen Gao
- Zhenbin Gong
- Junyan Zhang
ArticleOpen Access1 Jul 2025 Nature Communications
Dynamic birefringence and chirality of magnetically controllable assemblies of anisotropic plasmonic nanoparticles in dispersion

The ability to control the arrangement of plasmonic nanoparticles offers a promising approach to modulating optical properties. Here, the authors report on magnetically controllable assemblies of plasmonic nanoparticles in dispersion that exhibit dynamic birefringence and chirality.
- Hyojung Kang
- Yoojung Jeon
- So-Jung Park
ArticleOpen Access1 Aug 2025 Nature Communications
Probing weak chemical interactions of metal surface atoms with CO-terminated AFM tips identifies molecular adsorption sites

Understanding molecule-surface interactions is key to neat on-surface synthesis of functional nanomaterials. Here, the authors measure interactions of metal surface atoms with CO-terminated tips to reveal their nature and reliable adsorption sites.
- Jalmar Tschakert
- Qigang Zhong
- Daniel Ebeling
ArticleOpen Access23 Aug 2025 Nature Communications
Polymer-guided grafting of single W atoms onto titanate nanotubes increases SERS activity in semiconductors

Atomically dispersed metal atoms on semiconductor surfaces alter the local surface carrier distribution. Here, the authors demonstrate the improvement of the SERS activity of titanate nanotubes by controllable loading with monoatomic W species.
- Jinyu Zhou
- Xiuling Zha
- Shan Cong
ArticleOpen Access28 Aug 2025 Nature Communications
Strong repulsive Lifshitz-van der Waals forces on suspended graphene

We report direct measurement of repulsive van der Waals forces on suspended graphene using atomic force microscopy. The strong repulsive forces substantially lower the wettability of suspended graphene.
- Gianluca Vagli
- Tian Tian
- Chih-Jen Shih
ArticleOpen Access19 Aug 2025 Nature Communications
Robust organic radical cations with near-unity absorption across solar spectrum

Open-shell organic radicals possess narrow energy gaps making them efficient solar absorbers. Here the authors synthesize robust triarylamine radicals enabling near unity absorption of the full solar spectrum for efficient photothermal applications.
- Shuai Zhang
- Wenbin Huang
- Zikai He
ArticleOpen Access8 Aug 2025 Nature Communications
Computational study of terahertz-driven controllable molecular isomerization

Molecular conformation plays a vital role in biological processes. Here, the authors show that frequency-specific terahertz light enables precise and reversible control of molecular conformation, opening new avenues for biochemical modulation.
- Zhi Zhu
- Shiyu Gu
- Xiao Cheng Zeng
ArticleOpen Access1 Aug 2025 Nature Communications
Imaging scattering resonances in low-energy inelastic ND₃-H₂ collisions

Scattering resonances are quantum effects occurring in low-temperature molecular collisions. Here the authors observe resonances for the six-atom ND₃-H₂/HD systems in velocity map imaging experiments explained by high-level theoretical predictions.
- Stach E. J. Kuijpers
- David H. Parker
- Sebastiaan Y. T. van de Meerakker
ArticleOpen Access5 Aug 2025 Nature Communications
Attosecond spectroscopy of molecular charge transfer uncovers a 1.5-fs delay in population transfer

While population transfer between electronic states occurs instantly in two-state model systems, here the authors show that real-world systems with coupling to additional states can exhibit measurable delays for transfer on a single femtosecond timescale.
- Danylo T. Matselyukh
- Florian Rott
- Hans Jakob WÃ¶rner
ArticleOpen Access5 Aug 2025 Nature Communications
Hot-carrier trapping preserves high quantum yields but limits optical gain in InP-based quantum dots

Indium phosphide is the material of choice for bright and color-pure quantum dots for next-generation displays. This study identifies the photophysical processes that have until now prevented the development of lasers based on these particles.
- Sander J. W. Vonk
- P. Tim Prins
- Freddy T. Rabouw
ArticleOpen Access7 Jul 2025 Nature Communications
Attosecond X-ray spectroscopy reveals the competing stochastic and ballistic dynamics of a bifurcating Jahnâ€“Teller dissociation

The Jahn-Teller effect leads to the distortion of molecular structures in electronically degenerate states. Here the authors use attosecond X-ray spectroscopy to follow this process in the silane cation, observing how the distortion splits into one coherent and one stochastic pathway.
- Danylo Matselyukh
- VÃt Svoboda
- Hans Jakob WÃ¶rner
ArticleOpen Access16 Jul 2025 Nature Communications
Short-range charge transfer for efficient ultra-narrowband deep blue afterglow

Narrowband blue afterglow materials are critical in optoelectronic applications. Here, the authors realized efficient ultra-narrowband deep blue afterglow by short-range charge transfer in a series of indolocarbazole emitters.
- Xin Zou
- Nan Gan
- Wei Huang
ArticleOpen Access11 Jul 2025 Nature Communications
Theoretical framework for confined ion transport in two-dimensional nanochannels

Ion transport mechanism is crucial for various applications of two-dimensional nanochannels. Here, the authors show quantitatively, how ion-water friction regulates diffusion and electromigration of ions in nanochannels.
- Shouwei Liao
- Yanchang Liu
- Haihui Wang
ArticleOpen Access20 Jul 2025 Nature Communications
Electrically modulated photothermal force microscopy for revealing molecular conformation changes during polarization switching at the nanoscale

A method for directly correlating chemical components and polarization switching at the nanoscale is still lacking. Here, the authors demonstrate a nanoscale technique that enables an in-situ chemical correlation during polarization evolution.
- Songyou Yao
- He Jiang
- Yue Zheng
ArticleOpen Access21 Jul 2025 Nature Communications
Electric control of magnetic exchange in a molecular spin triangle

Electric control of magnetic interactions in a molecular spin-frustrated triangle is demonstrated through experiments and supported by ab initio calculations. This result opens new pathways for scalability by local control of qubitâ€“qubit coupling.
- Alberto Cini
- Michael BÃ¶hme
- Maria Fittipaldi
ArticleOpen Access16 Jul 2025 Nature Communications
Super-resolution femtosecond electron diffraction reveals electronic and nuclear dynamics at conical intersections

Ultrafast electron diffraction can probe structural dynamics of photochemical reactions in real space and real time. Here the authors study the ring-opening of cyclohexadiene with sub-100 fs temporal resolution and sub-angstrom spatial resolution.
- Hui Jiang
- Juanjuan Zhang
- Dao Xiang
ArticleOpen Access21 Jul 2025 Nature Communications
Intermolecular Coulombic decay in liquid water competes with proton transfer and non-adiabatic relaxation

Intermolecular Coulombic decay is an electronic decay process in weakly bound systems. Here the authors show that its efficiency in liquid water is suppressed compared to the water dimer due to competing proton transfer and non-adiabatic relaxation.
- Pengju Zhang
- Joel Trester
- Hans Jakob WÃ¶rner
ArticleOpen Access22 Jul 2025 Nature Communications
Direct measurement of the Criegee intermediate CH₂OO in ozonolysis of ethene

Criegee intermediates are transient carbonyl oxides produced during the ozonolysis of alkenes and play a key role in atmospheric chemistry. Here the authors achieve direct observation of CH₂OO by cavity ringdown spectroscopy in a flow cell reactor.
- Mixtli Campos-Pineda
- Lei Yang
- Jingsong Zhang
ArticleOpen Access15 Jul 2025 Nature Communications
Non-monotonic size-dependent exciton radiative lifetime in CsPbBr₃ nanocrystals

Lead halide perovskite nanocrystals show size-tunable optical properties. Here the authors reveal a non-monotonic size dependence of exciton radiative lifetime, suggesting optimal sizes for applications requiring fast photoemission.
- Abdullah S. Abbas
- Daniel Chabeda
- A. Paul Alivisatos
ArticleOpen Access11 Jul 2025 Nature Communications
Molecular spin sensor for in-situ monitoring of crystallization behavior and phase transition in aromatic materials

Spin-active materials with sensitive electron spin centers have drawn significant attention in quantum sensing due to their unique quantum characteristics. Herein, the authors report a molecular spin sensor based on metallofullerene Y₂@C₇₉N for in-situ monitoring of crystallization behavior and phase transitions in aromatic materials with high precision.
- Linshan Liu
- Chong Zhao
- Taishan Wang
ArticleOpen Access4 Aug 2025 Nature Communications
Maximized circularly polarized luminescence from metal clusters accelerates chiral photopolymerization

The applicability of the circularly polarized luminescence emitted from chiral substances is limited by their poor performance. Here, the authors describe the sequential amplification of circularly polarized luminescence of metal clusters to trigger enantioselective photopolymerization.
- Chong Zhang
- Shan Guan
- Shuang-Quan Zang
ArticleOpen Access25 Jul 2025 Nature Communications
Interface engineering to regulate oxidation dynamics of supported nanoparticles

This work demonstrates that epitaxial match at the oxide-support interfaces plays a critical role in determining whether supported metal nanoparticles oxidize from the interface or the free surface in oxygen, thereby enabling controlled oxidation.
- Shiyuan Chen
- Kai Zhang
- Yong Wang
ArticleOpen Access24 May 2025 Nature Communications
Spatially dependent f-Ï€ exchange interaction within a single-molecule magnet TbPc₂

Detecting the localized nature of 4f orbitals in lanthanide ion is a major challenge. Here, the authors resolve the spatially dependent f-Ï€ exchange interaction within a single-molecule magnet TbPc₂ and show their spin states can be electrically controlled in a reversible manner.
- Xin Liao
- Yun Chen
- Ying-Shuang Fu
ArticleOpen Access7 Jul 2025 Nature Communications
Intense upconverted ultraviolet emission of Er³⁺ through confined energy transfer in Yb³⁺/Er³⁺ co-doped Rb₃InCl₆

Intense upconverted ultraviolet emission of Er³⁺ is achieved through confined energy transfer in Yb³⁺/Er³⁺ co-doped 0D Rb₃InCl₆, enabling NIR-driven anion exchange of CsPbX₃ perovskite nanocrystals in haloalkanes with high controllability.
- Wen Zhang
- Wei Zheng
- Xueyuan Chen
ArticleOpen Access22 Jul 2025 Nature Communications
Direct atomic-scale investigation of the coarsening mechanisms of exsolved catalytic Ni nanoparticles

Exsolution enables the formation of active catalytic nanoparticles, but their thermal stability remains limited. Here, the authors use secondary-electron imaging at atomic resolution to directly visualize the coarsening of exsolved nanoparticles.
- Dylan Jennings
- Moritz L. Weber
- Wolfgang Rheinheimer
ArticleOpen Access24 Jul 2025 Nature Communications
Deep-learning-enabled online mass spectrometry of the reaction product of a single catalyst nanoparticle

Extracting signals from noise is challenging in single-particle catalysis. Here, the authors use deep learning to enhance mass spectrometry, enabling detection of reactions on single nanoparticles.
- Henrik Klein Moberg
- Giuseppe Abbondanza
- Christoph Langhammer
ArticleOpen Access5 Aug 2025 Nature Communications
Elucidating the molecular structural origin of efficient emission across solid and solution phases of single benzene fluorophores

Fluorophores typically emit either in solution or in solid state due to several distinct effects. Here, the authors design a single-benzene fluorophore with efficient emission in both phases, enabling applications in photocatalysis and optical waveguiding.
- Jung-Moo Heo
- Jihyun Park
- Jinsang Kim
ArticleOpen Access1 Jul 2025 Nature Communications
Rhodopsin charge diffusion computations disclose contrasting color-tuning mechanisms

The color of rhodopsins is regulated by the interaction of the chromophore with its counterion. Here the authors introduce a computational model showing that color tuning can be described in terms of virtual counterion migration and delocalization pathways.
- Filippo Sacchetta
- Xuchun Yang
- Massimo Olivucci
ArticleOpen Access1 Jul 2025 Nature Communications
Nuclear quantum effects in molecular liquids across chemical space

Nuclear quantum effects affect chemical processes and material properties. Here the authors use path-integral molecular dynamics simulation to analyze their effects on themophysical properties of 92 organic liquids across the chemical space.
- Baris E. Ugur
- Michael A. Webb
ArticleOpen Access1 Jul 2025 Nature Communications
State- and time-resolved observation of ultrafast intermolecular proton transfer in hydrated biomolecules

Proton transfer plays a key role in nature, yet its ultrafast dynamics remain elusive. Here the authors use coincidence spectroscopy and theoretical simulations to show that radiolytic doubly-ionized pyrrole triggers proton transfer to water within 60 fs.
- Jiaqi Zhou
- Lu Wu
- Xueguang Ren
ArticleOpen Access1 Jul 2025 Nature Communications
Quantum dynamics simulation of exciton-polariton transport

Exciton-polariton transport in disordered organic media is simulated by quantum dynamics. The effects of static and dynamic disorder are disentangled, showing that static disorder primarily drives the transition to diffusive transport.
- Niclas Krupp
- Gerrit Groenhof
- Oriol Vendrell
ArticleOpen Access1 Jul 2025 Nature Communications
Disentangling the components of a multiconfigurational excited state in isolated chromophore with light-scanning-tunneling microscopy

Excited states of molecular radicals are often composed of multiple electronic configurations. Here, the authors use light-assisted scanning tunneling microscopy to visualize these configurations through tuning of the applied voltage.
- Rodrigo Cezar de Campos Ferreira
- Amandeep Sagwal
- Martin Å vec
ArticleOpen Access1 Jul 2025 Nature Communications
Excited-state reaction dynamics of the radical anions revealed by time-resolved photofragment depletion spectroscopy

Studying dynamics of radical anions can be challenging due to low electron affinities. Here, the authors introduce a new spectroscopic technique that follows photodetachment cross-section differences of transient anionic species to circumvent this issue.
- Sejun An
- Sang Kyu Kim
ArticleOpen Access1 Jul 2025 Nature Communications
Revealing umbrella bending as a reporter mode in the D+CH₄ reaction

The effects of non-reacting components on polyatomic reactions are still largely unclear. Here, the authors show through a combined experimental and theoretical study of the Dâ€‰+â€‰CH₄ reaction that the CH₃ umbrella bending mode serves as a reporter mode, revealing how the D atom dynamically approaches CH₄.
- Yuxin Tan
- Bin Zhao
- Xueming Yang
ArticleOpen Access1 Jul 2025 Nature Communications
Hydroxymethanesulfonate formation accelerated at the air-water interface by synergistic enthalpy-entropy effects

The formation of the atmospheric compound hydroxymethanesulfonate is accelerated at air-water interfaces compared to aqueous solution. Here the authors use ab initio simulation to show synergistic enthalpy/entropy effects driving this phenomenon.
- Jifan Li
- Weiqiang Tang
- Xiao He
ArticleOpen Access4 Jun 2025 Nature Communications

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