Article
Chemistry, Physical
Yiting Liu, Yajie Bian, Yuyi Zhang, Chao Hang, Xiaolei Zhang, Shitao Lou, Qingyuan Jin
Summary: In this study, the luminescent properties of multilayer CoTPP molecules self-assembled on an Au(111) surface were investigated using STM-induced luminescence. The influence of bias polarity on plasmonic emission and the first light emission from hypsoporphyrins in the tunneling junction were explored, with the mechanism of light emission further elucidated using density-matrix method and classical electrodynamics. These findings expand our understanding of plasmon-exciton coupling in STM nanocavity and suggest a new approach to enhance the fluorescent potential of hypsoporphyrins.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2021)
Article
Chemistry, Physical
J. M. S. Lopes, A. E. H. Machado, A. A. Batista, B. A. Iglesias, P. T. Araujo, N. M. Barbosa Neto
Summary: Excited state absorption (ESA) has been used to controllably induce photo-protonation of porphyrins in chloroform solution. The number of fluorine atoms linked to the porphyrin's outlying phenyl substituents affects both the protonation formation rate and stability of the photo-protonated structures. Increasing the number of fluorine atoms decreases the efficiency of the reaction and reduces the stability of the photo-protonated porphyrins. These findings provide insights into tuning the ESA-triggered photo-protonation of porphyrins.
JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY
(2023)
Article
Chemistry, Applied
Jihua Wang, Wenyue Dong, Zhenjun Si, Xu Cui, Qian Duan
Summary: In this study, phthalocyanine indium and three porphyrin derivatives were successfully synthesized, and novel polymers were achieved through energy transfer pathway, exhibiting enhanced nonlinear optical performance. The outstanding performance of the InPc-(PPO33-Por2b)(4)/PMMA composites demonstrates their great potential for real applications in the field of nonlinear optics.
Article
Chemistry, Physical
Nikolay B. Siplivy, Anatoly I. Ivanov
Summary: We propose a three-level model of symmetry-breaking charge transfer (SBCT) in excited octupolar molecules. This model describes the dynamics of the solvent and the dye in the excited state. We introduce a distribution function in the space of two reaction coordinates and derive an evolution equation for this function. We calculate the free energy surface and discuss the conditions for the occurrence and nature of SBCT.
JOURNAL OF CHEMICAL PHYSICS
(2023)
Article
Chemistry, Physical
Yunxia Han, Yanyan Jia, Ziwei Chen, Peipei Jin, Menghui Jia, Haifeng Pan, Zhenrong Sun, Jinquan Chen
Summary: This study investigates the excited state dynamics of luteolin and quercetin, two natural flavonoids with low fluorescence quantum yields, using femtosecond transient absorption spectroscopy and quantum chemical calculations. The ultrafast ESIPT process in these non-emissive flavonoids is experimentally demonstrated, and it is proposed that the rotation between B-and C-ring after ESIPT is the key to their ultrafast non-radiation decay channels, suggesting their potential as natural sunscreens.
CHEMICAL PHYSICS LETTERS
(2023)
Article
Chemistry, Physical
Danyang Zhang, Hongjuan Zhu, Xiaowei Sheng
Summary: It is shown that trans-stilbene (TSB) has potential as an ultrafast optical limiting material through three-photon absorption (3PA)-induced excited state absorption (ESA). The main transitions in the absorption bands of TSB are mostly local excitation. To improve its optical limiting performance, TSB derivatives with an electron donor-pi-acceptor structure are designed. The derivatives show enhanced and broadened absorption bands with obvious charge transfer characteristics, making them promising optical limiting materials based on TSB.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2023)
Article
Chemistry, Medicinal
Xue-Li Hao, Ai -Min Ren, Liang Zhou
Summary: Hydrogen sulfide (H2S) is important for physiological and pathological processes, but abnormal levels can cause diseases. Researchers investigated the luminous mechanism of turn-on probe for H2S monitoring and explored the effect of geometric modifications on optical properties. They found that introducing electron-withdrawing groups in benzopyran can suppress molecular skeleton vibration and improve two-photon absorption properties. A potential material for biological imaging and H2S detection with distinguishable spectra, high luminous efficiency, and large two-photon absorption cross section was obtained.
JOURNAL OF CHEMICAL INFORMATION AND MODELING
(2023)
Article
Optics
Mengyi Wang, Yanbing Han, Xingzhi Wu, Jidong Jia, Wenfa Zhou, Ruipeng Niu, Xindi Liu, Jinchong Xiao, Junyi Yang, Yinglin Song
Summary: In this study, end-substituted planar and twisted isomers of pyrene-containing twistacenes were synthesized and investigated for their nonlinear optical properties. It was found that the twisted structure and substitution positions can significantly impact the absorption and conductivity of the materials. These findings have important implications for the optimization of nonlinear optical materials.
OPTICS AND LASER TECHNOLOGY
(2022)
Article
Biochemistry & Molecular Biology
Jie Zhou, Yanyan Jia, Xueli Wang, Menghui Jia, Haifeng Pan, Zhenrong Sun, Jinquan Chen
Summary: This study investigates the excited-state dynamics of Proflavine after intercalation into DNA duplex using femtosecond time-resolved spectroscopy. It is found that both fluorescence and triplet excited-state generation of Proflavine are quenched after intercalation into DNA, due to ultrafast non-radiative channels. A static-quenching mechanism for the Proflavine-DNA complex is identified, in accordance with the spectroscopy data, and an excited-state deactivation mechanism is proposed.
Article
Chemistry, Physical
Danyang Zhang, Hongjuan Zhu, Chunrui Wang, Shuying Kang, Yong Zhou, Xiaowei Sheng
Summary: In this study, the ground and first singlet excited state absorption in distyrylbenzene (DSB) were simulated using linear-response time dependent density functional theory (LR-TDDFT). The results showed strong reverse saturable absorption effect of DSB in the near-infrared range. The three-photon absorption in DSB was also investigated, and it was found that DSB can function as an ultrafast optical limiter for light with wavelengths around 775 nm. The optical limiting behavior was primarily attributed to the three-photon induced excited state absorption (3PA-ESA), and the length of the pi-electron conjugated structure and molecular aggregation were found to affect the optical limiting efficiency of DSB. These findings provide theoretical guidance for the design of distyrylbenzene-based optical limiting materials.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2022)
Article
Chemistry, Multidisciplinary
Ziying Tang, Huying Zheng, Yaqi Wang, Runchen Wang, Zhiren Qiu, Yan Shen, Jie Zhou, Shichen Su, Lin Li, Hai Zhu
Summary: This study demonstrates the realization of ultralow-threshold six-photon-excited upconversion lasing through cavity quantum electrodynamics effects in a plasmonic microcavity. The Purcell factor in hybrid whisper-gallery mode is significantly enhanced, leading to enhanced nonlinear light-matter interactions. In addition, the temperature and polarization characteristics of upconversion lasing via a plasmonic-WGM approach show distinct evolution compared to a bare microwire.
Article
Chemistry, Physical
Anuradha Das, Swarnendu Bhattacharyya, Egmont J. Rohwer, Michela Gazzetto, Andrea Cannizzo, Ursula Rothlisberger, Thomas Feurer
Summary: The photo-driven charge transfer process of DMABN in DES was investigated using spectroscopy and molecular dynamic simulations. The coexistence of polar and non-polar domains in the DES resulted in different optical response and charge transfer dynamics. The correlation between solvent viscosity and reaction dynamics was weak, indicating the inadequacy of macroscopic variables. Computational results revealed the presence of partially twisted conformations, supporting the experimental observations.
JOURNAL OF MOLECULAR LIQUIDS
(2023)
Article
Chemistry, Physical
Yue-Rou Zhang, Dao-Fu Yuan, Lai-Sheng Wang
Summary: This article reports the observation of a core-excited dipole-bound state (DBS) in the pyrazolide anion. The binding energy of this core-excited DBS is measured, thanks to the favorable electronic structure of the neutral pyrazolyl core.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2022)
Article
Chemistry, Physical
Ciro A. Guido, Amara Chrayteh, Giovanni Scalmani, Benedetta Mennucci, Denis Jacquemin
Summary: The computational protocol cLR(2) effectively describes solvatochromism and fluorosolvatochromism by coupling the polarizable continuum model with time-dependent density functional theory. It is especially beneficial for modeling bright excitations with significant charge-transfer character and cases where an accurate balance between states of various polarities should be restored.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION
(2021)
Article
Chemistry, Multidisciplinary
Muhammet Erkan Kose
Summary: This article introduces a theoretical modeling method that adjusts parameters to match experimental absorption spectra, revealing structural changes between initial and final states. The study found that commonly used density functional theory performs well in the ground state but performs poorly in predicting excited-state properties.
Article
Chemistry, Physical
Mangababu Akkanaboina, Dipanjan Banerjee, Kanaka Ravi Kumar, R. Sai Prasad Goud, Venugopal Rao Soma, S. V. S. Nageswara Rao
Summary: Femtosecond laser-induced periodic surface structures (LIPSS) were achieved on GaAs by ablating in the air with variable input pulse energy. The morphology of these GaAs-LIPSS was analyzed and their formation mechanisms were discussed with theoretical support. These GaAs-LIPSS exhibited uniform periodicity over large ablation areas and were used as substrates for surface-enhanced Raman spectroscopy (SERS) with excellent performance.
SURFACES AND INTERFACES
(2023)
Article
Materials Science, Multidisciplinary
Monisha Nayak, Riya Nag, Abhijit Bera, Puja Samanta, Abu Jahid Akhtar, Sudip K. Saha
Summary: In this study, PVDF is incorporated into Formamidinium lead halide PNCs to improve device performance and stability. The PVDF/PNCs samples show enhanced absorption in the visible region and higher carrier concentration, leading to better electrical performance. The interaction between the organic cation and the polymer functional group also improves the thermal stability of the samples.
Article
Materials Science, Multidisciplinary
Srinivasa Rao Konda, Rahul A. Rajan, Subhash Singh, Rashid A. Ganeev, Venugopal Rao Soma, Amit Srivastava, Mottamchetty Venkatesh, Chunlei Guo, Wei Li
Summary: In this work, the third-order nonlinear optical properties of pure tungsten disulfide (WS2) nanolayers decorated with NiO nanoparticles (NPs) were measured using femtosecond Z-scan measurements. The inclusion of NiO NPs increased the nonlinear absorption at 800 and 400 nm wavelengths. The nonlinear absorption mechanism of WS2 nanolayers can be switched from saturable absorption to two-photon absorption or reverse saturable absorption by changing the pump intensity with the embedded NiO NPs playing a crucial role.
Article
Materials Science, Multidisciplinary
Sudhanshu Kumar Nayak, Ranjith Kore, Md Soif Ahmed, Pankaj Verma, Rohini Vallavoju, Dipanjan Banerjee, Someshwar Pola, Venugopal Rao Soma, Prabhakar Chetti, Sai Santosh Kumar Raavi
Summary: In this study, we investigated the nonlinear optical properties of three polycyclic aromatic hydrocarbons based benzo [e] pyrene derivatives. Experimental techniques such as UV-Visible absorption, Z-scan technique, and theoretical calculations were used to study their properties. The results showed strong reverse saturable absorption due to mixed contribution of two-photon absorption and three-photon absorption, and the second hyperpolarizability and optical limiting onset were also investigated.
Article
Optics
A. Rambabu, S. Sheetal, S. Akanksha, Y. Balaji, S. Venugopal Rao, S. Hamad, G. Krishna Podagatlapalli
Summary: The strong nonlinear optical properties of silver-platinum nanoparticles were investigated using the Z-scan technique. Different concentrations of platinum in the nanoparticles led to different behaviors of reverse saturable absorption and two-photon absorption. The spectral-dependent Z-scan studies of aluminum-doped platinum bimetallic nanoparticles revealed strong saturable absorption, two-photon absorption, and switching effects. These materials show great potential for applications in optical modulators and all-optical switching devices.
OPTICS AND LASER TECHNOLOGY
(2023)
Article
Optics
Md Soif Ahmed, Sudhanshu Kumar Nayak, Lavadiya Sireesha, Jagannath Rathod, Venugopal Rao Soma, Sai Santosh Kumar Raavi
Summary: This Letter investigates the photoluminescence and nonlinear optical properties of Mn-doped Cs2AgInCl6 nanocrystals. Self-trapped excitons and enhanced NLO coefficients were observed in this material. The fundamental parameters of the nanocrystals were calculated and the potential applications in optical limiting and switching were demonstrated. This study provides insights for the design of novel photonic and nonlinear optoelectronic devices.
Article
Energy & Fuels
Anusha Puliparambil Thilakan, Wei-Hsuan Hsu, You-Wei Yang, Ying-Ting Wang, Atshushi Yabushita, Chih-Wei Luo, Mei-Hsin Chen
Summary: The interfacial mechanisms of carrier transport in perovskite solar cells with different types of zinc oxide are investigated. The devices with ZnOHT and ZnOSG layers have significantly different power conversion efficiencies, which are influenced by the rates of photoelectron injection and electron-hole recombination. The ZnOHT layer exhibits fewer internal defects and faster photoelectron injection, benefiting the device performance compared to the ZnOSG layer.
Article
Materials Science, Multidisciplinary
B. N. Swetha, K. Keshavamurthy, A. L. Latha, A. G. Pramod, G. Jagannath, Dalal Abdullah Aloraini, Aljawhara H. Almuqrin, M. I. Sayyed, T. N. Ashoka, S. Venugopal Rao, M. K. Kokila
Summary: This study investigates the effect of silver nanoparticles on the nonlinear optical properties of holmium-doped melt-quenched borate-based glasses. Co-doping silver nanoparticles in lanthanum alkali borate glasses significantly improves their nonlinear absorption and optical limiting performance. The presence of silver nanoparticles in the glasses is confirmed by linear optical absorption and electron microscopic measurements. Using the open aperture Z-scan technique, the nonlinear optical and optical limiting features are determined, indicating that the high AgCl loaded lanthanum alkali borate glasses are effective in suppressing high energy near-infrared laser radiation for the protection of sensitive optical devices.
Article
Engineering, Electrical & Electronic
Ravi Kiran Gadde, Guntoju Srikanth, Chandu Byram, Md Abu Taher, Swati G. Acharyya, Venugopal Rao Soma, Tarak Nath De
Summary: A high-yield technique for producing wrinkle-free multi-layer graphene (MLG) sheets under ambient conditions using a femtosecond laser is reported. The synthesis parameters of MLG have been optimized and established, and the number of layers and quality of MLG produced at different laser fluences have been characterized. The technique produces ultra-flat crystalline MLG sheets with minimal defects and high yield, making it promising for bulk-scale production of MLG.
IEEE TRANSACTIONS ON NANOTECHNOLOGY
(2023)
Article
Chemistry, Multidisciplinary
Md Soif Ahmed, Lavadiya Sireesha, Sudhanshu Kumar Nayak, Rangarajan Bakthavatsalam, Dipanjan Banerjee, Venugopal Rao Soma, Janardan Kundu, Sai Santosh Kumar Raavi
Summary: Cs2AgInCl6 double perovskite (DP) nanocrystals have emerged as a promising material for photonics/optoelectronics due to their nontoxicity, direct bandgap, and high stability. This study investigates the photophysical and nonlinear optical properties of erbium- and ytterbium-doped Cs2AgInCl6 nanocrystals. The results show that these doped nanocrystals exhibit superior nonlinear optical properties compared to undoped ones.
Article
Chemistry, Inorganic & Nuclear
Renu Kumari Rohal, Dipanjan Banerjee, Tavleen Manchanda, Varusha Bhardwaj, Venugopal Rao Soma, Muniappan Sankar
Summary: The synthesis and characterization of asymmetrically substituted porphyrins with six bromine atoms were performed, and the porphyrins exhibited keto-enol tautomerism. The introduction of bulky bromo and EAA/acac groups resulted in reduced quantum yield and fluorescence intensity. Nonlinear optical measurements showed high-order nonlinear absorption and nonlinear refraction, which can improve resolution for various photonic and optoelectronic applications.
DALTON TRANSACTIONS
(2023)
Article
Materials Science, Multidisciplinary
Sarvani Jowhar Khanam, Dipanjan Banerjee, Venugopal Rao Soma, Banavoth Murali
Summary: Size-dependent perovskite nanocrystals (PNCs) have shown significant improvement in nonlinear optical (NLO) studies, but their industrialization is limited by their toxicity and instability. Organic-inorganic hybrid perovskites (OIHPs) are promising candidates for achieving advanced NLO properties. By investigating the interaction between FAPbBr3 and Sr2+ ions, SrCl2-doped FAPbBr3 PNCs demonstrated enhanced three-photon absorption (3PA) comparable/superior to other reported PNCs. This research provides a pathway for developing more stable and less toxic OIHP PNCs for optoelectronic applications.
JOURNAL OF MATERIALS CHEMISTRY C
(2023)
Article
Chemistry, Analytical
Ashwini Bhat, Venugopal Rao Soma, Sharath Ananthamurthy
Summary: By monitoring the changes in bacterial membrane during laser-induced photodamage, the shifts in Raman spectra were investigated, revealing the correlation between the membrane structure changes and the compromised rotation of the bacterium.
VIBRATIONAL SPECTROSCOPY
(2023)
Article
Materials Science, Multidisciplinary
Anusha N. Ekbote, Shivaraj R. Maidur, Jitendra R. Jahagirdar, Parutagouda Shankaragouda Patil, Venugopal Rao Soma
Summary: In this study, we synthesized PMMA polymer thin films doped with two nitro substituted chalcone derivatives and investigated their linear and third-order nonlinear optical properties. The results showed that the films exhibited enhanced nonlinearity with increased chalcone doping concentration, and the F3NC doped films had a higher nonlinearity compared to the Ci3NC doped films.
MATERIALS TODAY COMMUNICATIONS
(2023)
Article
Chemistry, Physical
Bibek Kumar Singh, Dipanjan Banerjee, A. Mangababu, Yagnesh Shadangi, N. K. Mukhopadhyay, Rajesh Rawat, A. P. Pathak, Archana Tiwari, A. Tripathi
Summary: In this study, femtosecond laser ablation was used to generate nanoparticles from decagonal quasicrystals in a liquid medium. The structural analysis showed that the nanoparticles retained the phase of the target material. Formation of Al3Ni2 phase was observed in Al70Co20Ni10, while no formation of Al-Ni phase was observed in Al70Co15Cu10Ni5. Optical analysis confirmed the formation of Al2O3 in both cases, with a weak signal of CuO detected in Al70Co15Cu10Ni5. Laser-induced periodic surface structures were also studied in the ablated region of the target's surface.
JOURNAL OF ALLOYS AND COMPOUNDS
(2023)
Correction
Chemistry, Physical
Chen Luo, Yan Shao, Hua Yu, Hong-zhi Ma, Yu-hao Zhang, Long Gu, Bo Yin, Ming-bo Yang
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
Stefano Borocci, Armando Camerlingo, Felice Grandinetti, Maria Rutigliano, Nico Sanna
Summary: The complexes of He, Ne, Ar, Kr, and Xe with B3N3H6 were investigated using MP2, CCSD(T), and SAPT ab initio methods. The complexes can be described as mono-, di-, and tri-coordinated to the N atoms, with stability following the order N-mono < N-di < N-tri. The interactions are dominated by dispersion and the binding energies are within the range of 1 or 2 kcal mol(-1). The results were compared with a recent DFT study on larger BN sheets complexes [Phys. Chem. Chem. Phys. 24 (2022) 2554-2566.].
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
V. Nagarajan, R. Bhuvaneswari, R. Chandiramouli
Summary: In this study, stable phosphoborane was used as a sensor to detect isobutane and n-propane in Liquefied Petroleum Gas (LPG). Phosphoborane demonstrated structural stability and semiconducting nature, and exhibited promising adsorption properties for the LPG molecules.
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
Xiaoxi Xu, Zijiang Yang, Bayaer Buren, Maodu Chen
Summary: In this study, the time-dependent wave packet method was used to investigate the reaction channels and mechanisms of Ca+ + HD. The results show that the CaH+ + D reaction channel plays a primary role, which is consistent with experimental results. Complex forming and direct-abstraction reaction mechanisms exist in this reaction process.
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
Keshab Pandey, Hae Kyung Jeong
Summary: A free-standing silicon-carbon nanofiber composite film was synthesized and investigated for supercapacitor applications. It exhibited high specific capacitance, energy density, and power density. After 5000 cycles, the film showed excellent specific capacitance retention and Coulombic efficiency.
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
Xinyu Zhang, Haosong Li, Xiaoyu Cao, Jing Gao, Yong Wei, Jianzhuo Zhu
Summary: The evaporation behavior of nanosized water aggregations on two-dimensional electroneutral solid surfaces with different surface polar unit densities was investigated. The results showed that the evaporation rate changes non-monotonically with the surface polar unit density, and the minimum evaporation rate is obtained when the surface has a modest surface polar unit ratio of 66.7%.
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
Yanyan Xu, Rui Dai, Xiaojie Wang, Zhijun Qiao, Haowei Wen, Dianbo Ruan, Yuzuo Wang
Summary: This article presents an innovative solvothermal sodium insertion method for synthesizing Triphylite-NaFePO4, which demonstrates optimal electrochemical performance in sodium-ion batteries.
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
Meiyi Jiang, Kun Yang, Yancheng Liu, Li Yao
Summary: The geometric structure and electronic properties of transition metal M (M = Cu, Fe, Mn)-TiO2 (101) surface adsorbed by NO2 and N2O were calculated by density functional theory (DFT) and DFT + U theory. The results showed that the adsorption of NO2 and N2O on Mn and Fe atoms is more stable, and a large number of active electrons are formed around these atoms, facilitating the catalytic reactions.
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
Sergey A. Vyrko, Yulia G. Polynskaya, Nikita A. Matsokin, Andrey M. Popov, Andrey A. Knizhnik, Nikolai A. Poklonski, Yurii E. Lozovik
Summary: In this study, carbon nanobracelets, which are cyclic molecules composed of alternating polycyclic regions and double carbon chains, were investigated using spin-polarized density functional theory. The results show that carbon nanobracelets with odd number of monomers exhibit distinct electronic energy levels, band gaps, and carbon chain deformation compared to those with even number of monomers.
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
Chanchan Wang, Quan Yang, Yanzhi Ding, Xiaoyong Lu, Dong Tian
Summary: It has been found that the introduction of buffer layers improves the electrical performance of solid oxide fuel cells (SSOFCs). In this study, varying ratios of Gd-doped CeO2 were used as buffer layers in YSZ-based SSOFCs. The results demonstrate that the performance of SSOFCs is enhanced when a buffer layer is added, with the highest performance achieved using Ce0.8Gd0.2O2-delta (GDC20) as the buffer layer. This suggests that the use of GDC series buffer layers is an attractive strategy to optimize performance loss due to electrolyte-electrode interactions.
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
Wang Li, Yi-Fan Zhang, Jia-Bin Huang, Chang-Yang Wang, Feng Zhang, Jiu-Zhong Yang, Long Zhao
Summary: The gas-phase reaction of propargyl with vinylacetylene was investigated using synchrotron photoionization and molecular-beam mass spectrometry methodologies. The formation mechanisms of the resulting cyclic structures were examined using quantum computations. Two previously unidentified isomers were detected and identified for the first time.
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
Avijit Pramanik, Sanchita Kundu, Olorunsola Praise Kolawole, Kaelin Gates, Paresh Chandra Ray
Summary: This study investigates the influence of aspect ratio and quantum confinement on the single-photon and two-photon absorption cross-section of perovskite CsPbI3 nanorods. Experimental data shows that CsPbI3 nanorods have an extremely high two-photon absorption cross-section, significantly surpassing organic chromophores and other CsPbBr3 nanocrystals. Moreover, adjusting the aspect ratio can significantly enhance the absorption ability. Additionally, the study also reveals a moderate quantum confinement effect on the single-photon and two-photon absorption cross-section of the nanorods.
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
Hyon-Tae Pak, Jin-A Choe, Kyong-Sik Ju, Yong -Son Rim
Summary: Drug-loaded cellulose diacetate (CDA) membranes were prepared using different compositions of mixed solvent. The microstructure and performance of the membranes were investigated, and a method to predict drug release properties was proposed. The results showed that the composition of the mixed solvent significantly affected the overall performance of CDA membranes, and the release rates of drugs were related to Δdelta and the intrinsic viscosity of CDA.
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
Gabriella E. Ravin, E. Curotto
Summary: We have developed a systematic approach to optimize the training set sizes for neural networks in fitting ab initio potential energy surfaces. Using this approach, we have constructed several spectroscopic quality potential energy surfaces for [Li(H2)n]+, n = 1 - 9. The ground state properties have been computed for all the systems and selected states.
CHEMICAL PHYSICS LETTERS
(2024)
Article
Chemistry, Physical
Guohua Xu, Lei Xu, Feng Zhang, Chunling Yu, Yu Song
Summary: NiS1.03@Ni7S6/carbon composite was successfully prepared using corn stalk as a carbon source via a simple adsorption-sulphurization process. The composite exhibited a specific capacitance of 1554.6 F/g at 1 A/g as a supercapacitor electrode, with a capacitance retention rate of 80.4% after 5000 cycles. Furthermore, the NiS1.03@Ni7S6/carbon//AC asymmetric supercapacitor showed a high energy density of 41.2 Wh kg-1 at a power density of 750 W kg-1, and excellent cycling stability with 86.8% capacitance retention after 10,000 cycles.
CHEMICAL PHYSICS LETTERS
(2024)
