Article
Chemistry, Physical
Bin Zhang, Yixuan Xue, Harold S. Park, Jin-Wu Jiang
Summary: Mechanical computers have attracted significant research interest from nanoscale to macroscale as they can complement electronic computers, particularly in extreme environments. This study proposes a non-volatile nanomechanical bit based on the quasi-stable configurations of few-layer graphene with void defects. The researchers demonstrate multiple quasi-stable states and reprogrammability of this nanomechanical bit by deriving an analytic relationship for the void configuration. The study also explores the accuracy and stability of the nanomechanical bits based on few-layer graphene.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Aleksandr A. Kurilovich, Vladimir N. Mantsevich, Aleksei V. Chechkin, Vladimir V. Palyulin
Summary: We explain the observation of negative diffusion of excitons reported in experimental studies in quasi-two-dimensional semiconductor systems using two different mobile-immobile type models. The main reason for this effect is the initial trapping and delayed release of free excitons in the area close to the original excitation spot. This effect is enhanced with an increase in recombination intensity and the rate of exciton-exciton binary interactions.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Review
Chemistry, Physical
Qifeng Mu, Jian Hu
Summary: Polymer mechanochemistry has experienced a renaissance due to the rapid development of mechanophores and principles governing mechanochemical transduction or material strengthening. It has not only provided fundamental guidelines for converting mechanical energy into chemical output, but also found applications in engineering and smart devices.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Yuwen Cheng, Mengyue Li, Cuiping Shao, Yongtao Li
Summary: Dual-metal-site catalysts (DMSCs) have emerged as significant candidates for heterogeneous catalysis, and N4-coordinated DMSCs and SMSCs exhibit better OER performance. There are strong linear relationships between the metal-loaded dband center and the OER performance in N4-coordinated DMSCs.
Article
Chemistry, Physical
Theerapol Thurakitseree, Arunothai Rattanachata, Hideki Nakajima, Somruthai Phothiphiphit, Surasak Kuimalee, Pimpun Suknet
Summary: Thin film nitrogen-doped SWCNTs were synthesized using floating-catalyst chemical vapor deposition. The incorporation of low levels of nitrogen into the carbon network resulted in predominance of substitutional and pyridinic nitrogens, changing the electronic structure of the SWCNT film to n-type doping. X-ray absorption spectroscopy revealed the localized structures of carbon and nitrogen bonding environments. The formation of a p-n junction was observed from the I-V characteristic of the N-doped SWCNT heterojunction diode, indicating n-type behavior.
Article
Chemistry, Physical
Ryan Lambert, Arthur C. Reber, Turbasu Sengupta, Shiv N. Khanna
Summary: This study demonstrates how the placement of terminal ligands and the deposition of alkali atoms control the band gap energy and placement of band edges in phosphorene nanoribbons. The work function is significantly affected by the induced dipole of the terminal groups, and the band gap can be manipulated by adding alkali atoms on the surface.
Article
Chemistry, Physical
Daiya Nagai, Akimasa Fujihara
Summary: The effects of intermolecular interactions on the reactivity of hydrogen-bonded clusters of adenosine and tryptophan in the gas phase were investigated using water adsorption and ultraviolet photoexcitation. The results showed that water adsorption weakened the intermolecular interactions between adenosine and tryptophan in the clusters and inhibited the photoinduced glycosidic bond cleavage of adenosine.
Article
Chemistry, Physical
Yifei Zhang, Xi Wang, Na Liu, Faming Lu
Summary: Understanding the ultrafast electron transfer (ET) processes involving various vibronic excitation in biological systems is challenging. This study investigated the excitation dependence of the photo-induced ET dynamics by selecting mutants in flavodoxin with different ET lifetimes. The results showed that increasing excitation energies resulted in higher vibrational excitation in products for the ultrafast ET processes, but no dependence was found for slower ET due to complete vibrational relaxation.
Article
Chemistry, Physical
Mohammed Abobakr Al-Maari, Hanee F. Hizaddin, Adeeb Hayyan, Mohamed Kamel Hadj-Kali
Summary: Deep eutectic solvents (DESs) have been recognized as eco-friendly alternatives to conventional solvents. However, reliable methods for selecting task-specific DESs are limited. Using COSMO-RS, 126 DESs were screened based on their solubility capacity to estimate their potential use as plant seed oil extractants. The results showed that DESs with higher linoleic acid solubility had lower solubility for protein, and the similarity of DESs to both linoleic acid and protein was compared through sigma-profiles. DESs with high linoleic acid solubility could be used as individual solvents, while DESs with high protein solubility could be used as co-solvents with organic solvents.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
Fatemeh Sheikhi Lisar, Hossein Iloukhani, Khatereh Khanlarzadeh
Summary: This study investigated the thermodynamics properties of mixtures involving the ionic liquid 2-hydroxyethylammonium propionate [2-HEAPr] + 1-propanol, 3-amino-1-propanol [AP], 1-amino-2-propanol [MIPA], and monoethanolamine [MEA]. Measurements of density, speed of sound, and refractive index were conducted at different temperatures, and various parameters such as excess molar volume and thermal expansion coefficient were calculated and analyzed using theoretical models. The study also provided confirmation of the structures of the ionic liquids through FT-IR and HNMR analysis.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
Kosar Khajeh, Deboprasad Talukdar, Shuhei Yamamoto, Sota Endo, Kazunori Kamio, Hitoshi Washizu
Summary: This study investigates the behavior of dipole and non-dipole polymers in hydraulic fluids and aims to establish a comprehensive understanding of the correlation between atomic properties of additives and the macroscopic properties of the polymer solution. The findings provide valuable insights for the enhancement of energy-efficient hydraulic fluids and contribute to a fundamental comprehension of polymer behavior in lubricants, charting the course for the development of advanced hydraulic fluids in the future.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
Mykola Tasinkevych, Artem Ryabov
Summary: We studied the dynamics of a chemical nanoswimmer in a periodically rocked ratchet potential, and found that mechanochemical coupling can be utilized to control the motion of chemically active particles at the nanoscale.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
C. I. Alcolado, J. Poblete, L. Garcia-Rio, E. Jimenez, F. J. Poblete
Summary: In this study, the selective oxidation of aromatic aldehydes was investigated using Ru(VI) as a catalyst and hexacyanoferrate (III) as a cooxidant in an alkaline medium. The reaction mechanism involves complex reaction orders for the oxidant and the aromatic aldehyde, while the reaction order for Ru(VI) is one. The proposed mechanism includes two catalytic cycles and the formation and decomposition of complexes. Quantitative structure-activity relationship analysis showed that deactivating groups in the para-position enhance the process.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
Inez A. Barbieri, Marcos L. S. Oliveira, Franciele S. Bruckmann, Theodoro R. Salles, Leonardo Zancanaro, Luis F. O. Silva, Guilherme L. Dotto, Eder C. Lima, Mu. Naushad, Cristiano R. Bohn Rhoden
Summary: This study evaluated the adsorption of zolpidem on magnetic graphene oxide and synthesized magnetic graphene oxide adsorbents for zolpidem removal. The best magnetic nanoadsorbent was found to have a removal percentage of 87.07% at specific pH and temperature conditions. The results suggest that the removal of zolpidem is related to the surface chemistry of the adsorbent rather than the surface area of graphene oxide. The adsorbent showed excellent adsorption efficiency and magnetic behavior, making it a promising material for removing zolpidem from aqueous solutions.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
Istvan Szabo, Jafar Al-Omari, Agnieszka Dabrowska, Soma Gabor Szerdahelyi, Rozsa Sebok, Gyula Szabo, Adrienn Micsinai, Edit Kaszab, Sandor Szoboszlay, Balazs Kriszt
Summary: Bacterial colonization on microplastic surfaces in freshwater alters the physiochemical properties of the plastic and leads to the formation of distinct bacterial communities. Over time, the composition of the bacterial community on the microplastic surfaces changes and becomes different from the bacterial community in the lake water.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
T. P. Iglesias, A. Queiros, M. F. Coelho
Summary: The aim of this work is to develop a theoretical approximation to calculate the important properties of the interfacial nanolayer around nanofluid particles. The model takes into account factors such as temperature, base fluid properties, nanoparticle properties, and their geometry and concentration.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
Evgeniy V. Ivanov
Summary: In this short communication, we provide a detailed reply to the brief comments made by G.I. Egorov on our previous paper regarding the terminology of relative partial isobaric compression of a solute and its negative partial molar expansibility. We have renamed the phrase partial isobaric compression to partial molar isobaric compaction of a solute (PMICS) and also discuss the origins of this phenomenon.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
Lining Bao, Yarou Yang, Xu Li, Jinxiang Dong
Summary: In this study, the alkylation activity of four Lewis acidic monoamine chloroaluminate ionic liquids (LAMCILs) was predicted and confirmed experimentally. The effect of alkyl chain length on the activity was investigated, and a correlation was established. Furthermore, the catalytic activity and surfactant properties were examined.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
Rathiesh Pandian, Daniel Kim, Yong Zhang, Ibrahim Alfurayj, Desiree Mae Prado, Edward Maginn, Clemens Burda
Summary: Since 2004, the study of deep eutectic solvents (DESs) has made significant advancements. This research measured the properties of DES systems using different diol HBDs and studied their conductivity, viscosity, density, polarity on the ET(30) scale, and solvent response dynamics through experimental and simulation methods.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
Zhaojie Wei, Maosen Wang, Wenjun Shan, Mingyi Guo, Ying Li, Wenjing Qin, Kaijun Li, Yinghui An, Kun Bo
Summary: Organic-inorganic composite inhibitors show synergistic inhibition properties in reducing clay swelling rate and increasing shale recovery. The hydrogen bonding interaction between potassium alginate and clay particles plays a key role in maintaining the performance of base fluids. This study demonstrates the feasibility of using these hybrid materials as shale hydration inhibitors and highlights the potential of combining potassium alginate with silicates to enhance wellbore stability.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
