ACS Physical Chemistry Au是一本开放获取期刊，发表有关物理化学领域各方面原创性的基础和应用研究。该期刊出版了物理化学，生物物理化学，化学物理学，物理学，材料科学领域科学家和工程师感兴趣的原创实验，计算和理论研究。稿件接收的一个基本标准是可以提供新的物理见解或开发了具有广泛兴趣的新方法。

期刊收录研究方向：
分子，团簇和气溶胶；生物物理学，生物材料，液体和软物质；能源、材料和催化。
ACS Physical Chemistry Au is an open access journal, which publishes original, fundamental and applied research on all aspects of physical chemistry. The journal publishes new and original experimental, computational and theoretical research of interest to physical chemists, biophysical chemists, chemical physicists, physicists, material scientists, and engineers. An essential criterion for acceptance is that the manuscript provides new physical insight or develops new tools and methods of general interest. Some major topical areas include:

Molecules, Clusters and Aerosols; Biophysics, Biomaterials, Liquids and Soft Matter; Energy, Materials and Catalysis

ACS Physical Chemistry Au is an open access journal that focuses on original fundamental and applied research in the field of physical chemistry. The journal publishes original experimental, computational, and theoretical research related to physical chemistry, biophysical chemistry, chemical physics, physics, and materials science, aiming to provide new insights or develop widely relevant new methods for physical chemists, biophysical chemists, chemical physicists, physicists, material scientists, and engineers. A fundamental criterion for acceptance is that the manuscript offers new physical insights or develops new tools and methods of general interest. Major research areas include: Molecules, Clusters and Aerosols; Biophysics, Biomaterials, Liquids and Soft Matter; Energy, Materials and Catalysis.

《ACS Physical Chemistry Au》是一本开放获取期刊，专注于物理化学领域的原创基础和应用研究。该期刊发表与物理化学、生物物理化学、化学物理学、物理学及材料科学相关的原创实验、计算和理论研究，旨在为物理化学家、生物物理化学家、化学物理学家、物理学家、材料科学家和工程师提供新的研究视角或开发具有广泛兴趣的新方法。稿件接受的基本标准是提供新的物理见解或开发具有普遍意义的新工具和方法。主要研究方向包括：分子、团簇和气溶胶；生物物理学、生物材料、液体和软物质；能源、材料和催化。

ACS Physical Chemistry Au

Metal halide perovskite quantum dots (PQDs) and perovskite magic sized clusters (PMSCs) exhibit interesting size- and composition-dependent optoelectronic properties that are promising for emerging applications including photovoltaic solar cells and light-emitting diodes (LEDs). Much work has focused on developing new synthesis strategies to improve their structural stability and property tunability. In this paper, we review recent progress in the synthesis and characterization of PQDs and PMSCs, with a focus on the impact of different molecular ligands on their surface passivation and interconversion. Moreover, the effect of capping ligands on ion exchange during synthesis and doping is discussed. Finally, we present some perspectives on challenges and opportunities in fundamental studies and potential applications of both PQDs and PMSCs.

Li Liu

Keliang Pan

Ke Xu

Jin Z. Zhang

ACS Phys. Chem Au

Impact of Molecular Ligands in the Synthesis and Transformation between Metal Halide Perovskite Quantum Dots and Magic Sized Clusters

分子配体在金属卤化物钙钛矿量子点和魔幻尺寸团簇的合成与转化中的影响

Fábio J. Amorim

Giovanni F. Caramori

Exploring the Capability of Mechanically Interlocked Molecules in Anion Recognition: A Computational Insight

探索机械互锁分子在阴离子识别中的能力：计算视角

Moisés do Amaral Amancio

Yonny Romaguera Barcelay

Ariamna Gandarilla

Ronald Rastre Sales

Thiago Monteiro de Souza

Francisco Xavier Nobre

Ellen Raphael

Walter Ricardo Brito

Enhanced Grätzel Solar Cells Using Carbon Nanodots and Natural Dye

使用碳纳米点和天然染料增强的格雷策太阳能电池

José A. S. Laranjeira

Nicolas Martins

Pablo A. Denis

Julio Sambrano

High Stability, Piezoelectric Response, and Promising Photocatalytic Activity on the New Pentagonal CGeP<sub>4</sub> Monolayer

新型五边形CGeP<sub>4</sub>单层的高稳定性、压电响应及有前景的光催化活性

The unique properties and versatile applications of natural deep eutectic solvents (NaDES) have sparked significant interest in the field of green chemistry. Comprised of natural components that form liquids at room temperature through strong noncovalent electrostatic interaction, these solvents are cost-effective, nontoxic, and versatile. Betaine chloride-based NaDES, in particular, have shown promise in biocatalysis and sugar extraction due to their excellent properties. Despite their potential, the complex nature of these solvents, characterized by intense hydrogen bonding and proton transfer processes, poses significant challenges. This study employs quantum molecular dynamics (ab initio MD-AIMD) to explore the intricate NaDES-microstructure formed from betaine chloride and amino acids (arginine, histidine, lysine). Our findings highlight the dynamic nature of proton transfers within these solvents, demonstrating rapid and extensive hydrogen bonding interactions. The Van Hove correlation functions reveal that proton transfers are highly mobile, facilitating the formation and breaking of covalent hydrogen bonds. This dynamic behavior is further corroborated by the radial distribution functions, which indicate significant proton exchange between amino acids and betaine cations. Chloride anions play a crucial role in maintaining the structural integrity of NaDES through strong interactions with proton donors. These findings advance our understanding of these eutectic solvents and their potential applications in sustainable chemical processes.

Eudes Eterno Fileti

Henrique de Araujo Chagas

Guilherme Colherinhas

Thaciana Malaspina

Quantum Molecular Dynamics Approach to Understanding Interactions in Betaine Chloride and Amino Acid Natural Deep Eutectic Solvents

量子分子动力学方法研究甜菜碱氯化物与氨基酸天然深共晶溶剂中的相互作用

Mohammad A. Rahman

Mst Nigar Sultana

Daud Sharif

Sultan Mahmud

Justin Legleiter

Peng Li

Blake Mertz

Stephen J. Valentine

Structure Characterization of a Disordered Peptide Using In-Droplet Hydrogen/Deuterium Exchange Mass Spectrometry and Molecular Dynamics

无序肽的结构表征：利用液滴内氢/氘交换质谱和分子动力学方法

In an effort to improve safety and cycling stability of liquid electrolytes, the use of dicarbonates has been explored. In this study, four dicarbonate structures with varying end groups and spacers are investigated. The effect of these structural differences on the physical and ion transport properties is elucidated, showing that the end group has a significant influence on ion transport. The solvation structure and ion transport in the dicarbonates are compared to those of the linear carbonates dimethyl carbonate (DMC) and diethyl carbonate (DEC). Although the carbonate coordination numbers (CN) are similar in the different systems, the CN from the anion is higher in dicarbonate electrolytes. At low salt concentrations, rapid solvent exchange is observed in the DMC- and DEC-containing systems, transitioning to a more correlated ion transport at high salt concentration. In contrast, the exchange of solvents around lithium ions (Li+) is limited in the dicarbonate systems regardless of the salt concentration, with only one carbonate group from each molecule participating in the coordination. In addition, according to the molecular dynamics simulations, Li+ mainly moves together with coordinating dicarbonate molecules and anion(s).

Samuel Emilsson

Marcelo Albuquerque

Pernilla Öberg

Daniel Brandell

Mats Johansson

Understanding Ion Transport in Alkyl Dicarbonates: An Experimental and Computational Study

理解烷基二碳酸酯中的离子传输：实验与计算研究

Abbreviation	ACS Phys. Chem Au
Journal Impact	3.73
Quartiles(Global)	CHEMISTRY, PHYSICAL(Q2)

ISSN	2694-2445
h-index	11

Publication Information	Publisher: American Chemical Society，Publishing cycle: Bimonthly，Journal Type: journal，Open Access Journals: Yes
Basic data	Year of publication: 2021，Proportion of original research papers: 0.00%，Self Citation Rate:0.00%， Gold OA Rate: 75.89%
Journal Fees	$3500Details
Average review cycle	7 weeks

ACS Physical Chemistry Au

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Impact of Molecular Ligands in the Synthesis and Transformation between Metal Halide Perovskite Quantum Dots and Magic Sized Clusters

Exploring the Capability of Mechanically Interlocked Molecules in Anion Recognition: A Computational Insight

Enhanced Grätzel Solar Cells Using Carbon Nanodots and Natural Dye

High Stability, Piezoelectric Response, and Promising Photocatalytic Activity on the New Pentagonal CGeP₄ Monolayer

Quantum Molecular Dynamics Approach to Understanding Interactions in Betaine Chloride and Amino Acid Natural Deep Eutectic Solvents

Enhanced Grätzel Solar Cells Using Carbon Nanodots and Natural Dye

Exploring the Capability of Mechanically Interlocked Molecules in Anion Recognition: A Computational Insight

High Stability, Piezoelectric Response, and Promising Photocatalytic Activity on the New Pentagonal CGeP₄ Monolayer

Structure Characterization of a Disordered Peptide Using In-Droplet Hydrogen/Deuterium Exchange Mass Spectrometry and Molecular Dynamics

Understanding Ion Transport in Alkyl Dicarbonates: An Experimental and Computational Study

ACS Physical Chemistry Au

Journal Citation Format

A journal article with 1 author

A journal article with 2 authors

A journal article with 3 authors

A journal article with 5 or more authors

Books Citation Format

Thesis Citation Format

Web sites Citation Format

Patent Citation Format

Staying up late manually editing references? ivySCI automatically matches journals and helps you generate references with a single click.

Share Submission Experience

Impact of Molecular Ligands in the Synthesis and Transformation between Metal Halide Perovskite Quantum Dots and Magic Sized Clusters

Exploring the Capability of Mechanically Interlocked Molecules in Anion Recognition: A Computational Insight

Enhanced Grätzel Solar Cells Using Carbon Nanodots and Natural Dye

High Stability, Piezoelectric Response, and Promising Photocatalytic Activity on the New Pentagonal CGeP4 Monolayer

Quantum Molecular Dynamics Approach to Understanding Interactions in Betaine Chloride and Amino Acid Natural Deep Eutectic Solvents

Enhanced Grätzel Solar Cells Using Carbon Nanodots and Natural Dye

Exploring the Capability of Mechanically Interlocked Molecules in Anion Recognition: A Computational Insight

High Stability, Piezoelectric Response, and Promising Photocatalytic Activity on the New Pentagonal CGeP4 Monolayer

Structure Characterization of a Disordered Peptide Using In-Droplet Hydrogen/Deuterium Exchange Mass Spectrometry and Molecular Dynamics

Understanding Ion Transport in Alkyl Dicarbonates: An Experimental and Computational Study

High Stability, Piezoelectric Response, and Promising Photocatalytic Activity on the New Pentagonal CGeP₄ Monolayer

High Stability, Piezoelectric Response, and Promising Photocatalytic Activity on the New Pentagonal CGeP₄ Monolayer