Review
Chemistry, Physical
Xue Wang, Yongbo Kuang, Jia-Bo Le
Summary: The surface charge density of the electric double layer, which determines the strength of the electric field and impacts electrocatalytic reactions, cannot be directly controlled in electrochemical experiments. However, it can be estimated from the potential of zero charge and the differential double layer capacitance curve. This mini-review summarizes recent advances in determining the potential of zero charge and Helmholtz capacitance at the metal/aqueous solution interface using ab initio molecular dynamics simulations. The factors influencing these properties, including metal surface work function and ion hydration structure, are also discussed.
CURRENT OPINION IN ELECTROCHEMISTRY
(2023)
Article
Materials Science, Multidisciplinary
Byoungnam Park
Summary: The study reveals that trap density near the MAPbI(3)/TiO2 interface is significantly lower, while the TiO2 layer plays a crucial role in electronic passivation on the SiO2 surface. However, a rough surface suppresses efficient charge transport.
RESULTS IN PHYSICS
(2021)
Article
Chemistry, Physical
Pinar Aydogan Gokturk, Sefik Suzer
Summary: Charging dynamics of ionic liquid electrolytes are crucial in electrochemical processes, but current theoretical/computational approaches are limited to electrode/electrolyte interfaces and short timescales. This study used X-ray photoelectron spectroscopy to investigate the charging dynamics of ILs with wire electrodes at various frequencies, revealing two distinct time constants. The research is expected to provide new insights for designing efficient IL-based electrochemical devices.
JOURNAL OF PHYSICAL CHEMISTRY C
(2021)
Article
Chemistry, Physical
Peng Li, Yuwen Liu, Shengli Chen
Summary: Through ab initio molecular dynamics simulation, it was found that at the Pt(553)/water interface, chemisorbed O-down water molecules gather at the (110) step sites, while the (111) terrace sites are covered by H-down water molecules, resulting in a more positive potential of zero charge (PZC) compared to extended low-index Pt surfaces. The change in surface charge density around PZC is primarily dominated by the coverage of chemisorbed water molecules, while EDL charging plays a key role in the change in surface charge density away from PZC.
JOURNAL OF CHEMICAL PHYSICS
(2022)
Article
Chemistry, Physical
Tiantian Wang, Licheng Li, Fan Zhang, Zhongyang Dai, Faiz Ullah Shah, Wen Wang, Feng Xu, Rong An
Summary: In this study, atomic force microscopy (AFM) was used to directly measure the contact resonance frequency of two phosphonium-based ionic liquids (ILs) with different lengths of cations. The findings showed that IL with longer cation alkyl chains formed stiffer ion layers on the electrode surface, while IL with shorter chains formed a softer cation-anion alternating structure.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2022)
Article
Chemistry, Physical
Xiang-Ying Li, Xiang-Feng Jin, Xiao-Hui Yang, Xue Wang, Jia-Bo Le, Jun Cheng
Summary: Unraveling the origin of Helmholtz capacitance is crucial for understanding the interfacial structure and electrostatic potential distribution of electric double layers. In this study, electrified Cu(100)/electrolyte and graphene/electrolyte interfaces were modeled using ab initio molecular dynamics and classical molecular dynamics methods. It was proposed that the Helmholtz capacitance is composed of three parts connected in series: usual solvent capacitance, water chemisorption induced capacitance, and Pauling repulsion caused gap capacitance. The Helmholtz capacitance of graphene was found to be significantly lower than that of Cu(100), due to the wider gap layer and lower water chemisorption activity of graphene. Based on these findings, suggestions for increasing the EDL capacitance of graphene-based materials were provided, and the new understanding of potential distribution across the Helmholtz layer was suggested to explain some experimental phenomena of electrocatalysis.
JOURNAL OF CHEMICAL PHYSICS
(2023)
Article
Chemistry, Physical
Eun-Kyung Noh, Amos Boampong, Yu Konno, Yuji Shibasaki, Jae-Hyun Lee, Yoonseuk Choi, Min-Hoi Kim
Summary: The research demonstrated the influence of a buffer layer on the electrical characteristics of ferroelectric polymer capacitors and field-effect transistors, showing that an increase in buffer layer capacitance results in higher remnant polarization and longer retention times.
Article
Chemistry, Multidisciplinary
Zijing Xia, Vepa Rozyyev, Anil U. Mane, Jeffrey W. Elam, Seth B. Darling
Summary: In this study, 17 ALD-grown metal-oxide films were synthesized and comprehensively studied for their water stability, wetting properties, and surface-charge properties, providing a resource guide for researchers and engineers seeking to tailor the interfacial charge properties of membranes and other porous water treatment components.
Article
Engineering, Chemical
Adrian Serrano Mora, Amir Peyman Soleymani, Jasna Jankovic, David P. Wilkinson, Madjid Mohseni
Summary: This study investigated the gradual changes to the positive activated carbon electrode used in capacitive deionization under different conditions. It was found that dissolved organic matter had little impact on capacitance loss and shift of the point of zero charge (EPZC), while the presence of iron accelerated capacitance loss and delayed the EPZC shift. Elemental analysis revealed that oxygen incorporation mainly occurred on the electrode surface during the early cycling stage, but CO2 evolution became the main reaction as cycling progressed. The wettability of the electrode surface also increased over time.
Article
Electrochemistry
W. D. Judge, J. Paeng, G. Azimi
Summary: This study investigated the effect of carbon content on the electrochemical interfacial properties between molten iron and slag, revealing specific characteristics of carbon in molten iron that increase charge density, induce attraction between metal and slag, and reduce interfacial tension.
ELECTROCHIMICA ACTA
(2022)
Article
Chemistry, Applied
A. Serrano-Lotina, R. Portela, P. Baeza, V. Alcolea-Rodriguez, M. Villarroel, P. Avila
Summary: The importance of the isoelectric point in the preparation and characterization of functional materials, particularly industrial catalysts, is highlighted. The article introduces the basic principles and provides relevant examples to explain the possibilities for materials design. It discusses the measurement of zeta potential for controlling synthesis and coating of supports, as well as the influence of binders on support properties.
Article
Multidisciplinary Sciences
Hetao Chu, Xinghao Hu, Zhong Wang, Jiuke Mu, Na Li, Xiaoshuang Zhou, Shaoli Fang, Carter S. Haines, Jong Woo Park, Si Qin, Ningyi Yuan, Jiang Xu, Sameh Tawfick, Hyungjun Kim, Patrick Conlin, Maenghyo Cho, Kyeongjae Cho, Jiyoung Oh, Steven Nielsen, Kevin A. Alberto, Joselito M. Razal, Javad Foroughi, Geoffrey M. Spinks, Seon Jeong Kim, Jianning Ding, Jinsong Leng, Ray H. Baughman
Summary: The study found unipolar stroke carbon nanotube yarn muscles with enhanced stroke, contractile work-per-cycle, contractile power densities, and energy conversion efficiencies, offering potential for expanding their applications.
Article
Chemistry, Multidisciplinary
Rishi Pal, Sneh Lata Goyal, Ishpal Rawal, Anil Kumar Gupta, Ruchi
Summary: The successful growth of highly conducting two-dimensional graphene and nanocomposites of polyaniline with graphene has laid the foundation for the development of high efficiency supercapacitors. The supercapacitor based on nanocomposite of polyaniline with graphene exhibits significantly high values of energy and power densities.
JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS
(2021)
Article
Nanoscience & Nanotechnology
Leon Katzenmeier, Simon Helmer, Stephan Braxmeier, Edwin Knobbe, Aliaksandr S. Bandarenka
Summary: This study observed the formation of space charge layer in Li-conducting solid electrolytes, analyzed its properties using impedance spectroscopy and physical equivalent circuit, and calculated the effective thickness of the space charge layer to be around 60 nm. The relative permittivity of the electrolytes, specific resistance of the space charge layer, and the effective thickness of the electric double layer (around 0.7 nm) were also estimated.
ACS APPLIED MATERIALS & INTERFACES
(2021)
Article
Chemistry, Physical
Avi Auslender, George Levi, Vladimir Ezersky, Semen Gorfman, Oswaldo Dieguez, Amit Kohn
Summary: The research focused on the relationship between the mean-inner-potential (MIP) of anisotropic materials and the mean orbital electron radii and diamagnetic susceptibilities. Analyses of the structure and properties of graphite crystals were conducted through off-axis electron holography experiments, revealing significant anisotropy.
