Article
Engineering, Environmental
Shanshan Liu, Heyuan Liu, Li Shen, Zuoxu Xiao, Yujia Hu, Jun Zhou, Xiangyang Wang, Zhaobin Liu, Zhi Li, Xiyou Li
Summary: Extraction of higher value products from lignin via photoredox catalysis using TTA-UC catalyst is crucial to the economic viability of integrated biorefineries. This study demonstrates the use of TTA-UC photocatalysts in oxidized lignin model degradation for the first time, achieving high degradation efficiency and improved product selectivity.
CHEMICAL ENGINEERING JOURNAL
(2022)
Article
Chemistry, Applied
Bo Fu, Yuanyuan Che, Xuemei Yuan, Lei Sun, Haijun Xu, Jianzhang Zhao, Lang Liu
Summary: Triplet photosensitizers T-P-Co and T-C-60-P-Co were synthesized and used for triplet-triplet annihilation upconversion with efficient energy transfer and high quantum yields observed. Electrochemical investigation revealed thermodynamic limitations for photo-induced electron transfer in toluene, while nanosecond time-resolved experiments showed triplet excited states distributed on the corrole moiety.
Article
Chemistry, Applied
Steponas Raisys, Ona Adomeniene, Povilas Adomenas, Saulius Jursenas, Karolis Kazlauskas
Summary: The singlet exciton sink approach suppresses back-transfer in sensitized photon upconversion systems by trapping singlets at highly emissive sink sites, boosting UC efficiency. The successful application of this approach in matrix-free amorphous UC films based on BFA emitters and PtOEP sensitizer led to a doubling of UC efficiency in one of the films due to effective FRET from BFA to the sink. However, achieving maximal FRET at low sink concentrations is necessary to reduce unwanted energy transfer and harmful sink aggregation.
Article
Chemistry, Multidisciplinary
Aleksey Vasilev, Anton Kostadinov, Meglena Kandinska, Katharina Landfester, Stanislav Baluschev
Summary: Optically excited triplet states of organic molecules serve as an energy pool for subsequent processes, which is essential for optoelectronic applications.
FRONTIERS IN CHEMISTRY
(2022)
Article
Chemistry, Multidisciplinary
Rinat Meir, Tal Hirschhorn, Sungsoo Kim, Kealan J. Fallon, Emily M. Churchill, Dino Wu, Hee Won Yang, Brent R. Stockwell, Luis M. Campos
Summary: The ability to optically induce biological responses in 3D has been limited by the penetration of visible light, but hydrogels that convert red or near-IR light into blue light have been developed to trigger photochemical responses. This approach allows for precise control of cell function and may lead to new biochemical applications.
ADVANCED FUNCTIONAL MATERIALS
(2021)
Article
Chemistry, Multidisciplinary
Xiaosong Cao, Ke Pan, Jingsheng Miao, Xialei Lv, Zhongyan Huang, Fan Ni, Xiaojun Yin, Yaxiong Wei, Chuluo Yang
Summary: In this study, a MR-TADF compound (BN-Se) with efficient spin-flip transition, fast radiative decay, close-to-unity quantum yield, and narrowband emission was reported. The compound showed excellent performance in OLEDs and as a photosensitizer, highlighting its potential beyond OLED applications.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2022)
Review
Biochemistry & Molecular Biology
Bin Yao, Hongfei Sun, Youzhou He, Song Wang, Xingyan Liu
Summary: Triplet-triplet annihilation upconversion (TTA-UC) is a promising technology that converts low-energy photons to high-energy ones. Porphyrin-based TTA-UC plays a crucial role in various fields, but its applications in photoinduced reactions have been overlooked. This review discusses recent advances in photoreactions triggered by porphyrin-based TTA-UC, including chemical transformations and biomedical applications.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2022)
Article
Chemistry, Multidisciplinary
Rachel E. Bangle, Hengming Li, Maiken H. Mikkelsen
Summary: The nonlinear conversion of photons plays a critical role in various applications. Triplet-triplet annihilation upconversion (TTA UC) offers a promising approach for upconversion applications using low-intensity light. In this study, TTA UC emission from a thin film is significantly improved by integrating it into plasmonic nanogap cavities. The absorption rate enhancement is identified as the main mechanism responsible for the overall enhancement of TTA UC emission. The research also demonstrates the expansion of the usable spectrum and provides design rules for TTA UC emission enhancement using plasmonic nanostructures.
Review
Chemistry, Inorganic & Nuclear
Colm Healy, Lily Hermanspahn, Paul E. Kruger
Summary: Photon upconversion through self-assembled materials requires efficient triplet exciton migration. This promising area of research will benefit greatly from a wider range of sensitiser-annihilator pairs to expand the applicability of these materials.
COORDINATION CHEMISTRY REVIEWS
(2021)
Article
Nanoscience & Nanotechnology
Drake Beery, Timothy W. Schmidt, Kenneth Hanson
Summary: Utilizing molecular photon upconversion via triplet-triplet annihilation in solar cells has the potential to surpass the Shockley-Queisser limit, but further research and optimization in areas such as red-shifting absorption, photon management, etc., are needed.
ACS APPLIED MATERIALS & INTERFACES
(2021)
Article
Chemistry, Multidisciplinary
Mio Koharagi, Naoyuki Harada, Keisuke Okumura, Junji Miyano, Shota Hisamitsu, Nobuo Kimizuka, Nobuhiro Yanai
Summary: This study demonstrates the first example of triplet-triplet annihilation-based photon upconversion from green light to ultraviolet light sensitized by lead halide perovskite nanocrystals. The combination of a new transmitter that extracts triplet energy from perovskite and a UV emitter with a low triplet energy level effectively lengthens the excitation wavelength of perovskite-sensitized upconverted UV emission.
Article
Multidisciplinary Sciences
Ling Huang, Timmy Le, Kai Huang, Gang Han
Summary: This study successfully overcomes the oxygen-induced quenching of triplet-triplet annihilation upconversion in aqueous solutions using an enzymatic strategy, allowing for the development of highly specific, sensitive, and background-free sensors for glucose and enzymes related to glucose metabolism.
NATURE COMMUNICATIONS
(2021)
Article
Chemistry, Multidisciplinary
Lin Li, Chun Zhang, Lei Xu, Changqing Ye, Shuoran Chen, Xiaomei Wang, Yanlin Song
Summary: Triplet-triplet annihilation (TTA) upconversion is a unique non-linear photophysical process that converts low-energy photons into high-energy photons. In this study, a luminescence ratiometric nanothermometer was developed using TTA upconversion nanomicelles, showing linear relationships between luminescence ratio and temperature. Chemical modification of annihilators and stereochemical engineering were found to influence thermal sensitivity.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2021)
Article
Chemistry, Multidisciplinary
Nan Gong, Runchen Lai, Shiyu Xing, Zhengzheng Liu, Junyao Mo, Tao Man, Zicheng Li, Dawei Di, Juan Du, Dezhi Tan, Xiaofeng Liu, Jianrong Qiu, Beibei Xu
Summary: This study proposes a novel strategy to enhance triplet-triplet annihilation upconversion (TTA-UC) by incorporating ionic-bonded CsPbBr3 and lanthanide Ce3+ ions into composite nanocrystals. This electronic state engineering increases the population of triplet excitons participating in energy transfer, enhances coupling strength and driving force, and ultimately leads to a nonlinear enhancement of UC efficiency. The findings clarify the functions of electronic state engineering in inorganic sensitizers and TTA-UC.
Article
Nanoscience & Nanotechnology
Xun Li, Guangming Wang, Jiuyang Li, Yan Sun, Xinjian Deng, Kaka Zhang
Summary: In this study, intense dopant-matrix afterglow systems have been reported with high afterglow efficiency and afterglow lifetime. Through the use of hydrogen bonding and deuteration techniques, the rate of reverse intersystem crossing of the dopant triplets is reduced, resulting in unexpectedly high afterglow brightness and duration even at room temperature. Triplet-triplet annihilation has also been observed at high doping concentrations to further enhance the afterglow efficiency.
ACS APPLIED MATERIALS & INTERFACES
(2022)
Article
Chemistry, Physical
Sungyeon Heo, Kwangdong Roh, Fengyu Zhang, Steven E. Tignor, Andrew B. Bocarsly, Antoine Kahn, Barry P. Rand
Summary: Electrochemical n-doping of halide perovskites is challenging due to limited electrochemical stability. In this study, we report the successful electrochemical n-doping of CsPbBr3 nanocrystal films within stable potential windows. The nanocrystal films show enhanced n-doping properties compared to bulk films, and the n-doped films exhibit Fermi level shifts and increased conductivity and photoluminescence intensity.
ACS ENERGY LETTERS
(2022)
Article
Nanoscience & Nanotechnology
William B. Gunnarsson, Zhaojian Xu, Nakita K. Noel, Barry P. Rand
Summary: This research addresses the challenges of using ZnO in perovskite LEDs, such as chemical instability at the ZnO/perovskite interface and charge injection imbalance. By depositing an ultrathin Al2O3 interlayer, the efficiency and operational stability of the greenemitting perovskite LEDs have been enhanced through fine-tuning electron injection from ZnO.
ACS APPLIED MATERIALS & INTERFACES
(2022)
Article
Chemistry, Physical
Tianran Liu, Xiaoming Zhao, Ping Wang, Quinn C. Burlingame, Junnan Hu, Kwangdong Roh, Zhaojian Xu, Barry P. Rand, Minjie Chen, Yueh-Lin Loo
Summary: This study demonstrates a transparent photovoltaic technology that absorbs ultraviolet light while maintaining high transparency and color neutrality. By precisely tuning the halide ratio during thermal co-evaporation, large-area perovskite films with ideal absorption cutoff can be achieved. The resulting transparent photovoltaics exhibit high visible transmittance, color rendering index, and output power density under solar illumination.
ADVANCED ENERGY MATERIALS
(2023)
Article
Electrochemistry
Katsiaryna Chernyakova, Vitalija Jasulaitiene, Arnas Naujokaitis, Renata Karpicz, Ieva Matulaitiene, Vaclovas Klimas, Arunas Jagminas
Summary: This study investigated the morphology, composition, and fluorescence properties of anodic alumina/carbon composites formed in a formic acid solution with ammonium heptamolybdate additive. The composites exhibited a hierarchical structure with multi-branched pores and a cracked cover layer on the surface. The anodizing process was non-steady, resulting in non-uniform current pathways and the formation of the multi-branched porous structure. The carbon content in the alumina was found to be approximately 5.5%, and it existed in the form of CO2, CO, carboxylate ions, and a-C:H. The fluorescence spectrum of the composites showed wide blue fluorescence with a maximum wavelength of around 455 nm for the surface and 460 nm for the reverse side.
JOURNAL OF THE ELECTROCHEMICAL SOCIETY
(2023)
Article
Nanoscience & Nanotechnology
Yaraslau Padrez, Lena Golubewa, Anastasiya Bahdanava, Marija Jankunec, Ieva Matulaitiene, Dmitry Semenov, Renata Karpicz, Tatsiana Kulahava, Yuri Svirko, Polina Kuzhir
Summary: A systematic spectroscopic characterization of highly homogeneous water suspensions of 'buckydiamonds' revealed four types of specific structures on the ND surface that demonstrate excitation-wavelength-dependent photoluminescence (PL). The PL properties of NDs suspensions show concentration-dependent behavior, indicating a tendency for NDs to agglomerate. The pH sensitivity of the 'buckydiamonds' was explored, and it was found that they can serve as all-optical sensors for tiny pH variations in a wide range of pH values.
Article
Chemistry, Physical
Zhaojian Xu, Ross A. Kerner, Steven P. Harvey, Kai Zhu, Joseph J. Berry, Barry P. Rand
Summary: Voltage-induced halide segregation in mixed-halide perovskite devices is limited by iodide oxidation at the anode, leading to iodide and bromide accumulation at the cathode and anode, respectively. Switching the anode material to Ag prevents segregation by inhibiting the oxidation of lattice iodide. This suggests that redox-active additives can be used to suppress halide segregation. Overall, this work provides new insights into the impact of voltage bias on halide perovskite devices.
ACS ENERGY LETTERS
(2023)
Article
Chemistry, Multidisciplinary
Jesse A. Wisch, Xiao Liu, Patrick J. Sarver, Cesar N. Prieto Kullmer, Agustin Millet, David W. C. MacMillan, Barry P. Rand
Summary: An organic diode is demonstrated to transfer energy near-field to molecules in solution through surface plasmon polaritons, which is different from the conventional far-field excitation via absorption of traveling photons. Electrically created excitons couple to surface plasmon modes in the cathode, leading to the subsequent excitation of chromophore molecules. The diode and the near-field energy transfer process are characterized using external quantum efficiency and time resolved photoluminescence measurements. Additionally, the potential of this device for photochemical applications is shown by the ability of excited chromophores to charge-transfer to quencher molecules.
ADVANCED FUNCTIONAL MATERIALS
(2023)
Review
Chemistry, Multidisciplinary
William B. Gunnarsson, Kwangdong Roh, Lianfeng Zhao, John P. Murphy, Alex J. Grede, Noel C. Giebink, Barry P. Rand
Summary: Thin-film organic, colloidal quantum dot, and metal halide perovskite semiconductors are all being researched for a wavelength-tunable diode laser technology that does not require epitaxial growth. Efforts have been made to overcome fundamental and practical barriers to achieve reliable injection lasing. Challenges in resonator design, electrical injection, and heat dissipation are outlined, and the unique optical gain physics of each system are discussed. Systematic progress will require new materials or indirect pumping schemes for organic and colloidal quantum dot laser diodes, while improvements in device architecture and film processing are crucial for perovskite lasers. The current status of nonepitaxial laser diodes is discussed in the context of their epitaxial counterparts, showing reasons to be optimistic for the future.
Article
Economics
Amelie C. Lemay, Sigurd Wagner, Barry P. Rand
Summary: We analyze a dataset of rooftop solar installations in the US, finding low adoption rates (0.93% on average) and the potential for fifteen states to meet their residential electricity demand through solar power. Factors positively correlated with solar adoption include insolation, retail electricity price, Democratic voting fraction, net metering, and fraction of science or engineering degree holders, while fraction of business or education degree holders is negatively correlated. Cost savings are a strong motivator for PV adoption, especially in Republican-majority areas, highlighting the importance of compensatory programs like net metering. However, barriers of knowledge and installation cost remain, suggesting the need for knowledge campaigns and stable financial incentives.
Article
Chemistry, Physical
Tianran Liu, Quinn C. Burlingame, Marko R. Ivancevic, Xiao Liu, Junnan Hu, Barry P. Rand, Yueh-Lin Loo
Summary: In this study, the photostability of films and solar cells comprising Y-series non-fullerene acceptors were investigated. UV and near-UV photons were found to be responsible for the degradation of acceptors, leading to early performance losses in solar cells. The weak point in the Y-series acceptors susceptible to UV-induced cleavage was identified as the vinylene linkage between the core and electron-accepting moieties. The efficiency losses in organic photovoltaic cells were attributed to the formation of traps, reducing charge extraction efficiency and facilitating non-radiative recombination as the Y-series acceptors degrade.
ADVANCED ENERGY MATERIALS
(2023)
Article
Chemistry, Physical
Lena Golubewa, Hamza Rehman, Yaraslau Padrez, Alexey Basharin, Sumit Sumit, Igor Timoshchenko, Renata Karpicz, Yuri Svirko, Polina Kuzhir
Summary: By using a cost-effective room temperature reactive ion etching method, we designed and fabricated the black silicon (bSi) surface profile, which provides the maximum Raman signal enhancement under near-infrared (NIR) excitation when a nanometrically-thin gold layer is deposited. The proposed bSi substrates are reliable, uniform, low cost, and effective for surface enhanced Raman spectroscopy (SERS)-based detection, making these materials essential for medicine, forensics, and environmental monitoring.
Article
Chemistry, Multidisciplinary
Junnan Hu, Zhaojian Xu, Tucker L. Murrey, Istvan Pelczer, Antoine Kahn, Jeffrey Schwartz, Barry P. Rand
Summary: The thermal stress on lead perovskites leads to the formation of I2 and triiodide, which can attack and decompose the lead halide perovskites. However, the surface treatment with thiol reducing agents can prevent the decomposition and improve the stability and performance of the perovskite solar cells.
ADVANCED MATERIALS
(2023)
Article
Chemistry, Physical
Marko R. Ivancevic, Melissa L. Ball, Vinayak Bhat, Jesse A. Wisch, Sean R. Parkin, Chad Risko, Barry P. Rand, Yueh-Lin Loo
Summary: Contorted polycyclic aromatic molecules have been studied as host molecules for fullerenes, but their association is generally weak. In this study, researchers designed and synthesized π-extended buckybowls with larger surface areas. These buckybowls can form stronger complexes with fullerenes, especially those with butoxy side chains, due to their larger dipole moments and preferred 1:2 stoichiometry.
CHEMISTRY OF MATERIALS
(2023)
Article
Engineering, Electrical & Electronic
Jisu Hong, Jingwan Kim, Zhijun Li, Chenhao Cong, Barry P. Rand, Sang Yong Nam, Se Hyun Kim, Yun-Hi Kim
Summary: In this study, a diketopyrrolopyrrole (DPP)-based polymer with long and branched alkyl side chains was designed to improve solubility. The introduction of the branched side chains allowed for π-π interactions and crystalline structures, while preventing steric hindrance. Using the EHD jet printing technique, the feasibility of using P29DPP-TT as a semiconductor in integrated electronic systems was examined, with promising field-effect mobility of 0.55 cm(2) V-1 s(-1).
ACS APPLIED ELECTRONIC MATERIALS
(2023)
Article
Chemistry, Multidisciplinary
Quinn C. Burlingame, Xiao Liu, Melissa L. Ball, Barry P. Rand, Yueh-Lin Loo
Summary: Intermolecular charge-transfer excitons play a crucial role in determining the performance of organic solar cells. By investigating the voltage-dependent photoluminescence, photocurrent, and ultrafast pump-probe transient absorption spectra, the properties of charge transfer excitons can be revealed. The correlation between voltage-dependent photocurrent and charge-transfer exciton photoluminescence affects the photovoltaic fill factor, as efficient charge-transfer exciton dissociation requires voltage.
ENERGY & ENVIRONMENTAL SCIENCE
(2023)
Article
Chemistry, Physical
Jameel Ahmed Bhutto, Zhonglin He, Jawayria Najeeb, Sumaira Naeem, Eman A. Mahmoud, Hosam O. Elansary
Summary: Designing novel drugs using data-driven and virtual screening approaches, such as machine learning and data mining, is a popular research topic in the pharmaceutical industry. In this study, ML models were trained using data collected from academic research articles, and molecular descriptors were utilized. The best ML models were selected and optimized to identify potential compounds for aromatase inhibitors. These models accurately predicted the inhibition values of compounds in a database, and new compounds were designed based on the predictions. Overall, this study demonstrates the potential significance of data-driven and virtual screening approaches in pharmaceutical research.
Article
Chemistry, Physical
Raphael M. Tromer, Isaac M. Felix, Levi C. Felix, Leonardo D. Machado, Cristiano F. Woellner, Douglas S. Galvao
Summary: This study investigates the adsorption mechanisms of hydrogen atoms and molecules on 2D metallic porphyrins using DFT simulations. The results show that hydrogen atoms are chemisorbed while hydrogen molecules are physisorbed. Vanadium and chromium embedded porphyrins exhibit the highest maximum adsorption energies for hydrogen atoms, while scandium embedded porphyrins exhibit the highest maximum adsorption energy for hydrogen molecules. Furthermore, charge transfer is minimal for physisorption and significant for chemisorption. Uniaxial strain has minimal effects on the adsorption properties of 2D metallic porphyrins.
Article
Chemistry, Physical
Ankur Kanti Guha
Summary: This study examines the genuineness of a proposed quadruple bond in AeF(-) (Ae = Be-Ba) using electron localization function (ELF). The ELF analysis reveals the presence of a disynaptic Ae-F basin with electron integration much lower than expected for a quadruple bond. These bonds are classified as Charge-Shift bonds due to the excess kinetic energy in the bonding basins.
Article
Chemistry, Physical
X. F. Yang, Y. J. Dong, H. L. Yu, X. X. Tao, Y. S. Liu
Summary: This study investigates the spin-polarized transport properties of an iron-complex molecule sandwiched between two ferromagnetic zigzag-edged graphene nanoribbon electrodes. The results show the presence of single-spin switching effect, perfect spin filtering effect, and negative differential electrical and thermoelectric resistance in the molecular device. These findings suggest the potential applications of iron-complex molecular devices in the next-generation spin electric and thermoelectric devices.
Article
Chemistry, Physical
Zhengwei Yan, Tianchu Zhao, Qinghua Ren
Summary: In this study, the chemically accurate hybrid MP2:(PBE + D2) + Delta CCSD(T) method was used to investigate the transition states of alkenes reacting with the Al(2)O(7) Bronsted acid site in H-ferrierite (H-FER). The results showed that the MP2 + Delta CC intrinsic energy barriers were higher than the corresponding PBE + D2 intrinsic energy barriers, and the relative energies of the transition states decreased with the increase of the carbon number. For the reactant of propene, the conversion into 2-propoxide had a lower energy barrier compared to the conversion into 1-propoxide.
Article
Chemistry, Physical
Yutong Yao, Qihang Liang, Fawei Zheng, Menglei Li
Summary: In this study, first-principle calculations were used to investigate the structural, electronic, and superconducting properties of hydrogen-rich plutonium polyhydrides under high pressures. The results showed that these systems exhibited metallic behavior, with a low superconducting transition temperature. Additionally, it was found that the f electrons in plutonium had a detrimental effect on the superconductivity in these polyhydrides.
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
Xiaoping Han, Maamar Benkraouda, Zhiyuan Wang, Zongsheng Zhang, Noureddine Amrane
Summary: This study investigates the effects of Fe substitution and its complex with Sb vacancy on the magnetic properties and optoelectronic functionalities of antimonene. It is found that Fe substitution induces magnetism and promotes optical absorption, while further incorporation of VSb stabilizes Fe dopant and enhances both magnetism and photoabsorption. This work has implications in developing spintronic and optoelectronic applications.
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
Xiang Ge, Jigang Zhao, Xiangqian Yuan, Haitao Shen, Shiyong Wu
Summary: This study investigated the catalytic splitting of 1,1,2-TCE and found that CsCl showed the best catalytic effect. Characterization results of CO2-TPD and NH3-TPD suggested that alkaline sites were beneficial for the selective generation of VDC.
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
Chaithanya Kondur, Kelly A. Stephani
Summary: This study investigates the complex dynamics involved in the recombination of atomic nitrogen to form molecular nitrogen and explores the impact of a third body on the recombination dynamics. The results show that the recombination probability is highest for collisions with low translational energies and low time lags. Additionally, a novel rate coefficient expression is developed to evaluate low temperature recombination rate coefficients at a lower computational cost.
Article
Chemistry, Physical
Bingyao Wang, Zhongneng Zhou, Qin Zhang, Bo Dong, Xiu-Wen Kang, Bei Ding
Summary: In this study, two well-separated excited-state vibrational bands were observed in ethanol for indole derivatives with CN substituted on the six-membered rings (4-7CNIs) using UV/Vis pumped IR detection. A population redistribution process between the L-1(a) and L-1(b) states was observed in 4-7CNIs with a time constant of about 20 ps, driven by excitation-induced solvation relaxation. Only a single peak corresponding to the L-1(b) state was detected in 3CNI where the CN is attached on the five-membered ring.
Article
Chemistry, Physical
Ruoqi Zhang, Delu Gao, Yixuan Li, Dunyou Wang
Summary: The adsorption of CO on transition metal clusters supported by divacancy graphene has been studied, revealing that the supported clusters exhibit stronger adsorption capacity for CO due to the orbital coupling and induced electrostatic interaction.
