Uncovering Energetic Positions of Surface Trap States in α-Fe2O3 Treated with Cobalt Phosphate (Co-Pi) Using Charge Carrier-Selective Heterodyne Transient Grating Technique
Chemphyschem. 2024 Feb 18:e202300894. doi: 10.1002/cphc.202300894. Online ahead of print.ABSTRACTNear-field heterodyne transient grating (NF-HD-TG) responses of hematite (α-Fe2O3) treated with cobalt phosphate (Co-Pi) were measured with the burn lasers inducing the depletion of the response by the removal of the trapped charge carriers in the target state, which is called charge carrier-selective heterodyne transient grating (CS-HD-TG) spectroscopic technique. We found that two distinct trap states co-existed in Co-Pi loaded on the surface of α-Fe2O3. One of them named r-SS2, of which potential was similar to that of r-S...
Source: Chemphyschem - February 19, 2024 Category: Chemistry Authors: Young Hyun Kim Yu Gyeong Bae Woon Yong Sohn Source Type: research
Dual Stabilization of a Tri-Metallofullerene Radical Er3@C80: Exohedral Derivatization and Endohedral Three-Center Bonding
Chemphyschem. 2024 Feb 19:e202300912. doi: 10.1002/cphc.202300912. Online ahead of print.ABSTRACTThe enclosed space within fullerene molecules, capable of trapping metal clusters, offers an opportunity to investigate the behavior of metal atoms in a highly confined sub-nanometer environment. However, the studies on tri-metallofullerenes M3@C80 have been very limited due to their difficult obtainability. In this paper, we present a new method for obtaining a tri-metallofullerene Er3@C80 through exohedral modification of the fullerene cage. Our findings reveal that Er3@C80 exhibits a radical character and can react with the ...
Source: Chemphyschem - February 19, 2024 Category: Chemistry Authors: Yabei Wu Zhonghao Zhou Dan Xu Yuhang Jiang Dingyi Zhou Zhiyong Wang Source Type: research
In situ Gel Electrolytes for the Interfacial Regulation of Lithium Metal Batteries
Chemphyschem. 2024 Feb 19:e202300835. doi: 10.1002/cphc.202300835. Online ahead of print.ABSTRACTWith the popularity and development of electronic devices, the demand for lithium batteries is increasing, which also puts high demands on the energy density, cycle life and safety of lithium batteries. Gel electrolytes achieve both of these requirements by curing the electrolytes to reduce the interfacial side reactions of lithium metal batteries. The ionic conductivity of the gel electrolytes prepared by in situ curing reach 8.0×10-4 S cm-1 , and the ionic mobility number is 0.53. Meanwhile, the gel electrolytes maintain a s...
Source: Chemphyschem - February 19, 2024 Category: Chemistry Authors: Zhihua Chen Jingwei Hu Shuaijing Ji Weixin Zhang Qigao Han Shun Tang Yuancheng Cao Source Type: research
Manuscript number: cphc.202400003
Chemphyschem. 2024 Feb 19:e202400003. doi: 10.1002/cphc.202400003. Online ahead of print.ABSTRACTDonor-acceptor (D-A)-based architecture has been the key to increase storage capability efficiency through the enhanced charge transportation in the fabricated device. We have designed and synthesized a series of functionalized indoloquinoxalines (IQ) for non-volatile organic memory devices. The investigation on UV-visible spectra reveals the absorption maxima of the compounds around 420 nm, attributed to the intramolecular charge transfer between indole and quinoxaline moiety. The irreversible anodic peak in the 1.0 to 1.5 V r...
Source: Chemphyschem - February 19, 2024 Category: Chemistry Authors: Senthilkumar V Swetha Ramesh Gayathri Ardra Murali Predhanekar Mohamed Imran Samuthira Nagarajan Source Type: research
Hydrated Formic Acid Clusters and their Interaction with Electrons
Chemphyschem. 2024 Feb 19:e202400071. doi: 10.1002/cphc.202400071. Online ahead of print.ABSTRACTWe investigate ion formation in hydrated formic acid (FA) clusters upon collision with electrons of variable energy, focusing on electron ionization at 70 eV (EI) and low-energy (1.5-15 eV) electron attachment (EA). To uncover details about the composition of neutral clusters, we aim to elucidate the ion formation processes in FAM·WN clusters initiated by interaction with electrons and determine the extent of cluster fragmentation. EI predominantly produces protonated [FAm+H]+ ions, and in FA-rich clusters, the stable ring str...
Source: Chemphyschem - February 19, 2024 Category: Chemistry Authors: Kevin Li Jozef Ďurana Barbora Koc ábková Andrij Pysanenko Yihui Yan Milan On čák Michal F árník Jozef Lengyel Source Type: research
Hexylation stabilises twisted backbone configurations in the prototypical low-bandgap copolymer PCDTBT
Chemphyschem. 2024 Feb 19:e202300971. doi: 10.1002/cphc.202300971. Online ahead of print.ABSTRACTConjugated donor-acceptor copolymers hold great potential as materials for high-performance organic photovoltaics, organic transistors and thermoelectric devices. Their low optical bandgap is achieved by alternation of donor and acceptor moieties along the polymer chain, leading to a pronounced charge-transfer character of electronic excitations. However, the influence of appended side chains and of chemical defects of the backbone on their photophysical and conformational properties remains largely unexplored on the level of i...
Source: Chemphyschem - February 19, 2024 Category: Chemistry Authors: Sebastian St äter Erik F Woering Florian Lombeck Michael Sommer Richard Hildner Source Type: research
A theoretical-computational study of phosphodiester bond cleavage kinetics as a function of the temperature
Chemphyschem. 2024 Feb 19:e202300952. doi: 10.1002/cphc.202300952. Online ahead of print.ABSTRACTThe hydrolysis of the phosphodiester bond is an important chemical reaction involved in several biological processes. Here, we study the cleavage of this bond by means of a theoretical-computational method in a model system, the dineopentyl phosphate. By such an approach, we reconstructed the kinetics and related thermodynamics of this chemical reaction along an isochore. In particular, we evaluated the kinetic constants of all the reaction steps within a wide range of temperatures, mostly corresponding to conditions where no e...
Source: Chemphyschem - February 19, 2024 Category: Chemistry Authors: Alessandro Nicola Nardi Alessio Olivieri Marco D'Abramo Andrea Amadei Source Type: research
Uncovering Energetic Positions of Surface Trap States in α-Fe2O3 Treated with Cobalt Phosphate (Co-Pi) Using Charge Carrier-Selective Heterodyne Transient Grating Technique
Chemphyschem. 2024 Feb 18:e202300894. doi: 10.1002/cphc.202300894. Online ahead of print.ABSTRACTNear-field heterodyne transient grating (NF-HD-TG) responses of hematite (α-Fe2O3) treated with cobalt phosphate (Co-Pi) were measured with the burn lasers inducing the depletion of the response by the removal of the trapped charge carriers in the target state, which is called charge carrier-selective heterodyne transient grating (CS-HD-TG) spectroscopic technique. We found that two distinct trap states co-existed in Co-Pi loaded on the surface of α-Fe2O3. One of them named r-SS2, of which potential was similar to that of r-S...
Source: Chemphyschem - February 19, 2024 Category: Chemistry Authors: Young Hyun Kim Yu Gyeong Bae Woon Yong Sohn Source Type: research
Dual Stabilization of a Tri-Metallofullerene Radical Er3@C80: Exohedral Derivatization and Endohedral Three-Center Bonding
Chemphyschem. 2024 Feb 19:e202300912. doi: 10.1002/cphc.202300912. Online ahead of print.ABSTRACTThe enclosed space within fullerene molecules, capable of trapping metal clusters, offers an opportunity to investigate the behavior of metal atoms in a highly confined sub-nanometer environment. However, the studies on tri-metallofullerenes M3@C80 have been very limited due to their difficult obtainability. In this paper, we present a new method for obtaining a tri-metallofullerene Er3@C80 through exohedral modification of the fullerene cage. Our findings reveal that Er3@C80 exhibits a radical character and can react with the ...
Source: Chemphyschem - February 19, 2024 Category: Chemistry Authors: Yabei Wu Zhonghao Zhou Dan Xu Yuhang Jiang Dingyi Zhou Zhiyong Wang Source Type: research
Impact of Vacancy Defects on Electrochemical Nitrogen Reduction Reaction Performance of MXenes
Chemphyschem. 2024 Feb 18:e202300993. doi: 10.1002/cphc.202300993. Online ahead of print.ABSTRACTWe investigated electrochemical nitrogen reduction reaction (eNRR) on MXenes consisting of the vacancy defects in the functional layer using density functional theory calculations. We considered Mo2C, W2C, Mo2N, and W2N MXenes with F, N, and O functionalization and investigated distal and alternative associative pathways. We analyzed these MXenes for eNRR based on N2 adsorption energy, NH3 desorption energy, NRR selectivity, and electrochemical limiting potential. While we find that most of the considered MXenes surfaces are mo...
Source: Chemphyschem - February 18, 2024 Category: Chemistry Authors: Hardik L Kagdada Ankit Jain Source Type: research
Phosphide-Based Electrocatalysts for Urea Electrolysis: Recent Trends and Progress
Chemphyschem. 2024 Feb 16:e202300924. doi: 10.1002/cphc.202300924. Online ahead of print.ABSTRACTElectrolysis is a trend in producing hydrogen as a fuel for renewable energy development, and urea electrolysis is considered as one of the advanced electrolysis processes, where efficient materials still need to be explored. Notably, urea electrolysis came into existence to counter-part the electrode reactions in water electrolysis, which has hydrogen evolution reaction (HER) and oxygen evolution reaction (OER). Among those reactions, OER is sluggish and limits water splitting. Hence, urea electrolysis emerged with urea oxidat...
Source: Chemphyschem - February 17, 2024 Category: Chemistry Authors: Sanath Kumar Gita B Bhanuse Yen-Pei Fu Source Type: research
Phosphide-Based Electrocatalysts for Urea Electrolysis: Recent Trends and Progress
Chemphyschem. 2024 Feb 16:e202300924. doi: 10.1002/cphc.202300924. Online ahead of print.ABSTRACTElectrolysis is a trend in producing hydrogen as a fuel for renewable energy development, and urea electrolysis is considered as one of the advanced electrolysis processes, where efficient materials still need to be explored. Notably, urea electrolysis came into existence to counter-part the electrode reactions in water electrolysis, which has hydrogen evolution reaction (HER) and oxygen evolution reaction (OER). Among those reactions, OER is sluggish and limits water splitting. Hence, urea electrolysis emerged with urea oxidat...
Source: Chemphyschem - February 17, 2024 Category: Chemistry Authors: Sanath Kumar Gita B Bhanuse Yen-Pei Fu Source Type: research
Hierarchical sea urchin-like Fe-doped heazlewoodite for high-efficient oxygen evolution
Chemphyschem. 2024 Feb 15:e202300414. doi: 10.1002/cphc.202300414. Online ahead of print.ABSTRACTElectrochemical water-splitting to produce hydrogen is potential to substitute the traditional industrial coal gasification, but the oxygen evolution kinetics at the anode remains sluggish. In this paper, sea urchin-like Fe doped Ni3S2 catalyst growing on nickel foam (NF) substrate is constructed via a simple two-step strategy, including surface iron activation and post sulfuration process. The NF-Fe-Ni3S2 obtains at temperature of 130 ℃ (NF-Fe-Ni3S2-130) features nanoneedle-like arrays which are vertically grown on the parti...
Source: Chemphyschem - February 16, 2024 Category: Chemistry Authors: Shang Kun Guo Junpo Ma Yingjun Hangning Liu Zhang Xiaoling Wang Huizhen Jie Wang Zhenhua Yan Source Type: research
Catalysis of indium ion electroreduction in the presence of acetazolamide in chlorates(VII) solutions with varied water activity
Chemphyschem. 2024 Feb 16:e202300789. doi: 10.1002/cphc.202300789. Online ahead of print.ABSTRACTThe influence of acetazolamide (ACT) on the kinetics and the mechanism of electroreduction of In(III) ions as a function of changes of the water activity was investigated using electrochemical methods (DC, SWV, CV and EIS, CV). The multi-step mechanism of the electroreduction process should take into account the dehydration step of indium ions and the presence of In - ACT (,,cap-pair" effect) active complexes, mediating electron transfer, located in the adsorption layer. Differences in the electrode mechanism in the presence of...
Source: Chemphyschem - February 16, 2024 Category: Chemistry Authors: Agnieszka Nosal-Wierci ńska Marlena Martyna Anna Szabelska Beata Go łębiowska Source Type: research
Hierarchical sea urchin-like Fe-doped heazlewoodite for high-efficient oxygen evolution
Chemphyschem. 2024 Feb 15:e202300414. doi: 10.1002/cphc.202300414. Online ahead of print.ABSTRACTElectrochemical water-splitting to produce hydrogen is potential to substitute the traditional industrial coal gasification, but the oxygen evolution kinetics at the anode remains sluggish. In this paper, sea urchin-like Fe doped Ni3S2 catalyst growing on nickel foam (NF) substrate is constructed via a simple two-step strategy, including surface iron activation and post sulfuration process. The NF-Fe-Ni3S2 obtains at temperature of 130 ℃ (NF-Fe-Ni3S2-130) features nanoneedle-like arrays which are vertically grown on the parti...
Source: Chemphyschem - February 16, 2024 Category: Chemistry Authors: Shang Kun Guo Junpo Ma Yingjun Hangning Liu Zhang Xiaoling Wang Huizhen Jie Wang Zhenhua Yan Source Type: research
