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Themed collection Top 50 Articles of 2016: Physical Chemistry

6 items
Open Access Edge Article

Overall water splitting by Pt/g-C3N4 photocatalysts without using sacrificial agents

Direct splitting of pure water into H2 and O2 in a stoichiometric molar ratio of 2 : 1 by conjugated polymers via a 4-electron pathway was established for the first time, as demonstrated here using a g-C3N4 polymer and redox co-catalysts of Pt and Co species.

Graphical abstract: Overall water splitting by Pt/g-C3N4 photocatalysts without using sacrificial agents
From the themed collection: Global Energy Challenges: Hydrogen Energy
Open Access Edge Article

Achieving remarkable mechanochromism and white-light emission with thermally activated delayed fluorescence through the molecular heredity principle

An asymmetric molecule created by molecular heredity exhibits remarkable mechanochromism and white-light emission.

Graphical abstract: Achieving remarkable mechanochromism and white-light emission with thermally activated delayed fluorescence through the molecular heredity principle
From the themed collection: Top 50 Articles of 2016: Physical Chemistry
Open Access Edge Article

Highly effective sites and selectivity of nitrogen-doped graphene/CNT catalysts for CO2 electrochemical reduction

The selectivity of CO2 electrochemical reduction can be tuned for N-doped graphene/CNT catalysts after active sites are determined.

Graphical abstract: Highly effective sites and selectivity of nitrogen-doped graphene/CNT catalysts for CO2 electrochemical reduction
From the themed collection: Global Energy Challenges: Hydrogen Energy
Open Access Edge Article

Aromatic hydrocarbon macrocycles for highly efficient organic light-emitting devices with single-layer architectures

Aromatic hydrocarbon macrocycles for phosphorescent organic light-emitting devices with a single-layer architecture were designed.

Graphical abstract: Aromatic hydrocarbon macrocycles for highly efficient organic light-emitting devices with single-layer architectures
Open Access Edge Article

Excited-state intramolecular proton-transfer reaction demonstrating anti-Kasha behavior

When excited with high energy quanta, specially designed 3-hydroxychromone derivatives demonstrate dramatic enhancement of the excited-state intramolecular proton transfer (ESIPT) reaction in obvious violation of Kasha's rule.

Graphical abstract: Excited-state intramolecular proton-transfer reaction demonstrating anti-Kasha behavior
From the themed collection: Top 50 Articles of 2016: Physical Chemistry
Open Access Edge Article

Accurate calculation of the absolute free energy of binding for drug molecules

Free energy calculations based on molecular dynamics and thermodynamic cycles accurately reproduce experimental affinities of diverse bromodomain inhibitors.

Graphical abstract: Accurate calculation of the absolute free energy of binding for drug molecules
From the themed collection: Global challenges: Health & Food
6 items

About this collection

We are delighted to present a collection showcasing the 50 most downloaded Chemical Science articles of 2016. This is only available for a limited time and provides an easy way to quickly access the most important papers published in Chemical Science in the past year. These articles highlight exciting and impactful research across a broad range of subject areas, analytical chemistry, chemical biology, catalysis, energy, inorganic chemistry, materials science, nanoscience, organic chemistry and physical chemistry. We hope you enjoy reading this collection!

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