Article
Chemistry, Physical
Srimanta Pal, Arun Chattopadhyay
Summary: We successfully detected H2O, D2O, and HOD simultaneously in a reaction mixture using resonance Raman and surface-enhanced resonance Raman spectroscopy based on the peroxide vibrational mode. Bridged polynuclear peroxo complexes were synthesized in different H2O and D2O solvent mixtures, and the vibrational frequency of the peroxo bond was significantly affected by the different types of hydrogen bonding formed with solvent molecules (H2O, D2O, and HOD). Different concentrations of H2O and D2O resulted in varying HOD concentrations, which were indicated by peaks at 897, 823, and 867 cm(-1) for H2O, D2O, and HOD, respectively. The lowest detection limits were 0.028 mole fraction of D2O in H2O and 0.046 mole fraction of H2O in D2O. Additionally, the results revealed for the first time that the cis-peroxide forms two hydrogen bonds with solvent molecules.
Article
Chemistry, Physical
Yucheng Wu, Zhaoxue Zhang, Su'e Zhang, Zijie Luo, Yarui Zhao, Shuaikang Yang, Zhenxing Li, Yao Chang, Zhichao Chen, Shengrui Yu, Xueming Yang, Kaijun Yuan
Summary: The photodissociation dynamics of D2O via the (C) over tilde (010) state was studied, showing different product distributions for different rotational excitations.
JOURNAL OF CHEMICAL PHYSICS
(2022)
Article
Chemistry, Physical
Zijie Luo, Yao Chang, Yarui Zhao, Jiayue Yang, Zhichao Chen, Yi Cheng, Li Che, Guorong Wu, Xueming Yang, Kaijun Yuan
Summary: In this study, the photodissociation dynamics of H2O via the (E) over tilde'B-1(2) state were investigated using high-resolution H atom photofragment translational spectroscopy method. The analysis of quantum state population distributions revealed that both ground and electronically excited OH fragments exhibit moderate vibrational excitation but high rotational excitation. Additionally, it was found that the OH(A) products are predominantly formed via the (E) over tilde' state.
JOURNAL OF PHYSICAL CHEMISTRY A
(2021)
Article
Chemistry, Multidisciplinary
Weixing Li, Maria Mar Quesada-Moreno, Pablo Pinacho, Melanie Schnell
Summary: The study examines the structures of complexes of benzophenone microsolvated with water molecules using broadband rotational spectroscopy and molecular jet in cold conditions. Water molecules are found to dock sideways on benzophenone and move above one of the aromatic rings as the water cluster grows to a trimer. The analysis reveals a dilemma in identifying the global minimum between open loop and closed loop arrangements, which is resolved with zero-point vibrational energy correction. An OH...pi bond and a Burgi-Dunitz interaction are present between benzophenone and the water trimer in the cluster, highlighting the delicate balance between water-water and water-solute interactions.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2021)
Article
Biochemistry & Molecular Biology
Andreas Schedlbauer, Ulrich Gilles, Anna-Kristin Ludwig, Andreas Adler, Herbert Kaltner, Ingo Lindner, Kevin H. Mayo, Tammo Diercks, Dietmar Reusch, Hans-Joachim Gabius
Summary: Cellular glycoconjugates serve as biochemical signals for various physiological processes; Gal-1 undergoes structural changes upon binding lactose, affecting its role on the cell surface; Diffusion measurements by NMR spectroscopy can detect these changes.
Article
Chemistry, Physical
Mitchell S. Quinn, Klaas Nauta, Scott H. Kable
Summary: The study measured the two-photon EF -> X (v '' = 3 - 9) REMPI spectrum of H-2 produced via photolysis of H2CO, with high selectivity for ortho and para H-2. Over 470 REMPI transitions were identified in the EF-X band system, including many previously unseen transitions to EF levels. Speed distributions were obtained for each REMPI transition using Velocity-mapped imaging, aiding in precise measurement of internal energy of H-2 molecule.
Article
Chemistry, Physical
Shijie Chai, Qixin Chen, Dongzheng Yang, Yanzi Zhou, Daiqian Xie
Summary: This work presents the quantum calculations of the spectral line shape parameters for (CO)-C-13 and (CO)-C-12 in the fundamental band, perturbed by He or Ar from 20 to 1000 K. The results show that the Dicke narrowing effect competes with the pressure broadening effect, and intermolecular inelastic collisions contribute significantly to the pressure broadening. The presence of the Dicke narrowing effect is essential for reproducing the spectral line profile and is in agreement with experimental observations.
JOURNAL OF CHEMICAL PHYSICS
(2022)
Article
Physics, Atomic, Molecular & Chemical
G. M. Chenard, A. G. Adam, H. Zarringhalam, D. W. Tokaryk, C. Linton
Summary: Laser Induced Fluorescence (LIF) was used to study the spectroscopy of ruthenium monoxide (RuO) in the UNB laser-ablation molecular-jet apparatus. High-resolution spectra of the 0-0, 1-0, and 2-0 bands of the [18.09] 4 - X-4 and [18.46]3 - X3 transitions were obtained, revealing rotational and vibrational isotope effects. The hyperfine structure due to nuclear spin of Ru-99 and 101Ru was resolved, aiding in establishing the electron configurations of the electronic states. The observed hyperfine widths in ω = 4 and 3 states are consistent with their assignment as components of 5A states.
JOURNAL OF MOLECULAR SPECTROSCOPY
(2023)
Article
Chemistry, Physical
Christian Henrichs, Stephan Zimmermann, Marie-Luise Hebestreit, Michael Schmitt
Summary: The laser induced fluorescence and fluorescence emission spectra of 2-cyanoindole and its binary cluster with water were analyzed through a combination of experimental fits and computational calculations. It was found that both the monomer and water cluster emission occur from an L-b-like excited state structure. However, for 2-cyanoindole-(H2O)(1), the mixing of molecular orbitals results in smaller differences between L-a and L-b characteristics compared to other substituted indoles.
JOURNAL OF MOLECULAR STRUCTURE
(2021)
Article
Chemistry, Inorganic & Nuclear
Guo-Jun Yuan, Ye-Ting Luan, Ji-Bin Miao, Cai-Feng Wang, Li Chen, Chao Chen, Hong Chen, Li Li, Xiao-Ming Ren
Summary: Crown ethers are valuable in the fields of supramolecular chemistry and crystal engineering due to their significant conformational flexibility and rotational symmetry. This study synthesized and characterized four supramolecular compounds and found that the crystal structure, phase transition, and dielectric properties are significantly influenced by the size of the crown-ether rings. The research also discussed the coordination mode of metal ions with crown ethers, the compatibility between metal ions and crown-ether rings in terms of size, and the effects of crown-ether disorder on dielectric permittivity during phase transitions.
EUROPEAN JOURNAL OF INORGANIC CHEMISTRY
(2023)
Article
Materials Science, Multidisciplinary
Wenzhu Li, Sinan Zhu, Yuanyuan Zhao, Yongqing Qiu
Summary: The study investigated the structural, electrical, and optical properties, as well as the thermal stability of lead-free mixed halide perovskites using first principles calculations. It found that I-doped perovskites exhibit a red-shift in the visible region, while Cl-doped perovskites show a blue-shift in absorption spectra. Two optimal candidates for photovoltaic applications were identified.
Article
Physics, Atomic, Molecular & Chemical
Kristin N. Bales, Jack C. Harms, James J. O'Brien, Leah C. O'Brien
Summary: In this study, the (0,0) and (1,0) bands of the [15.30]1 - X 31-(0+) transition of tungsten sulfide (WS) were investigated using intracavity laser spectroscopy integrated with a Fourier-transform spectrometer. Heterogeneous mass- and J-dependent perturbations were observed in the spectra, and these perturbations were attributed to interactions with the vibrational levels of WS.
JOURNAL OF MOLECULAR SPECTROSCOPY
(2022)
Proceedings Paper
Computer Science, Interdisciplinary Applications
Winda Eka Pratiwi, Irma Mulyani, Atthar Luqman Ivansyah
Summary: This study investigates the potential and stability of Schiff's base complexes using computational methods. The results demonstrate that complexes with VDPH ligands, NH3 ligands, and M+3 metal ions tend to be more stable under specific conditions.
COMPUTATIONAL SCIENCE AND ITS APPLICATIONS, ICCSA 2022, PT II
(2022)
Article
Chemistry, Physical
A. V. Baklanov, D. H. Parker
KINETICS AND CATALYSIS
(2020)
Article
Chemistry, Physical
E. Sakkoula, B. G. M. van Oorschot, D. H. Parker
Summary: A VMI lens with a smaller diameter (around 20 mm) using tubular electrodes is described in this study, and its performance is evaluated in photodissociation and inelastic scattering experiments, showing acceptable image quality compared to a standard lens with a fourfold reduction in diameter.
Article
Chemistry, Physical
X-D Wang, D. H. Parker, S. Y. T. van de Meerakker, G. C. Groenenboom, J. Onvlee
Summary: The detection of O(P-3(j)) atoms using resonance-enhanced multi-photon ionisation has been investigated for improved sensitivity and reliable angular momentum polarisation information. An efficient scheme using difference frequency VUV generation and two-dye laser system has been found, showing potential for achieving zero ion recoil.
Article
Chemistry, Physical
Ana Caballo, Anders J. T. M. Huits, Arno Vredenborg, Michiel Balster, David H. Parker, Daniel A. Horke
Summary: Coincidence electron-cation imaging is used to characterize the multiphoton ionization of O-2 via the nu = 4,5 levels of the 3s((3)Pi(g)) Rydberg state. A tunable 100 fs laser beam operating in the 271-263 nm region is found to cause a nonresonant ionization across this wavelength range, with an additional resonant ionization channel only observed when tuned to the (3)Pi(g) (nu = 5) level. A distinct 3s -> p wave character is observed in the photoelectron angular distribution for the nu = 5 channel when on resonance.
JOURNAL OF PHYSICAL CHEMISTRY A
(2021)
Article
Chemistry, Physical
Evangelia Sakkoula, Gautam Sharma, Xingan Wang, Simon W. North, David H. Parker, Wei Wei
Summary: In this study, the CO2 VUV photodissociation dynamics near 155 nm were investigated using VMI technique. Vector correlations extracted from anisotropic angular distributions indicated photodissociation mainly via the excited 2(1)A' (A) state. A trend was observed where an increase in the CO rotational state j led to a decrease in the spatial anisotropy parameter.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2022)
Article
Chemistry, Physical
Dababrata Paul, Zhenghai Yang, Arthur G. Suits, David H. Parker, Ralf I. Kaiser
Summary: We investigated the photodissociation dynamics of three xylene isomers C6H4(CH3)2 at 157 nm. We found that the center-of-mass translational energy distributions of C7H7 radicals peaked at 26 kJ mol-1. Despite the ionization energy of the C7H7 tolyl fragment being higher than the energy of a 157 nm photon, the formation of C7H7+ was observed due to the photoionization of vibrationally 'hot' tolyl (C7H7) radicals and/or two-photon ionization. Our experiments suggest the presence of tolyl radicals in the interstellar medium as precursors to methylated polycyclic aromatic hydrocarbons.
CHEMICAL PHYSICS LETTERS
(2022)
Article
Chemistry, Physical
Dababrata Paul, Zhenghai Yang, Shane J. Goettl, Aaron M. Thomas, Chao He, Arthur G. Suits, David H. Parker, Ralf I. Kaiser
Summary: In this study, the photodissociation dynamics of astrophysically relevant propyl derivatives at 157 nm has been explored using an ultracompact velocity map imaging setup. The results show distinct center-of-mass translational energy distributions, indicating preferential excitation of low frequency C-H bending modes. C3H7+ was observed, suggesting the presence of isopropyl and possibly normal propyl radicals in the interstellar medium.
JOURNAL OF PHYSICAL CHEMISTRY A
(2022)
Article
Chemistry, Physical
Ana Caballo, Anders J. T. M. Huits, David H. Parker, Daniel A. Horke
Summary: Multiphoton excitation of molecular oxygen in the 392-408 nm region was investigated using a tunable femtosecond laser and a double velocity map imaging photoelectron-photoion coincidence spectrometer. The results revealed resonance enhanced multiphoton ionization around 400 nm, as well as the production of O+ through two different processes at 405 nm. Coincidence detection played a crucial role in identifying these pathways.
JOURNAL OF PHYSICAL CHEMISTRY A
(2023)
Article
Chemistry, Physical
Chang Luo, Lin Zhou, Wentao Chen, Daofu Yuan, Shengrui Yu, Siwen Wang, David H. Parker, Xueming Yang, Xingan Wang
Summary: The photodissociation dynamics of carbonyl sulfide (OCS) in vacuum ultraviolet (VUV) was studied using the time sliced velocity map ion imaging technique. Experimental images of the dissociative O (P-3(J=0,1,2)) products were obtained at five VUV photolysis wavelengths. The high vibrational states of the carbon monosulfide (CS) co-products were partially resolved in the images. The anisotropic parameters and product state branching ratios were found to be significantly sensitive to the J quantum number of the O (P-3(J)) products, indicating the involvement of multiple nonadiabatic pathways in the photodissociation processes.
JOURNAL OF CHEMICAL PHYSICS
(2023)
Article
Chemistry, Physical
Zijie Luo, Zhichao Chen, Yao Chang, Yarui Zhao, Jiayue Yang, Li Che, Weiqing Zhang, Guorong Wu, Zhongfa Sun, Kaijun Yuan, David H. H. Parker, Xueming Yang
Summary: A cold supersonic beam of O-2 is photoexcited by a free-electron laser to generate atomic oxygen ions, O+. The kinetic energy and angular distributions of the O+ ions produced reveal that the laser output contains second and third harmonics. By utilizing excellent slicing and velocity mapping techniques, signal separation from dissociative photoionization processes driven by 20 eV and 30 eV photons is achieved. Furthermore, a two-color experiment combining the free-electron laser and a dye laser allows for the detection of direct photodissociation of metastable O(2)(+) in a specific excited state.
Article
Chemistry, Physical
Zhong-Fa Sun, Roy J. A. Scheidsbach, Marc C. C. van Hemert, Ad van der Avoird, Arthur G. G. Suits, David H. H. Parker
Summary: This study investigates state-to-state rotational energy transfer in collisions between (CO)-C-13 molecules and N-2 molecules. The experimental results agree well with theoretical predictions, confirming the accuracy of the experiment. The collision dynamics behavior in (CO)-C-13 + N-2 collisions differs from that in (CO)-C-13 + CO collisions.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2023)
Article
Chemistry, Physical
Zhiguo Zhang, Min Xin, Yu Xin, Shutao Zhao, Yanling Jin, Guorong Wu, Dongxu Dai, Zhichao Chen, Evangelia Sakkoula, David H. Parker, Kaijun Yuan, Xueming Yang
Summary: This study investigated the state-to-state photodissociation of CO2(v(2) = 0 and 1) at 157 nm via the O(D-1) + CO(X-1 sigma(+)) channel using the sliced velocity map imaging technique. The experimental results showed that the observed variation of the product angular distribution with the rotational quantum number of CO is consistent with theoretical predictions.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2022)
Article
Chemistry, Physical
Yen-Hsiu Lin, Chung-Hsin Yang, Kaito Takahashi, Jim Jr-Min Lin
JOURNAL OF PHYSICAL CHEMISTRY A
(2020)
Article
Multidisciplinary Sciences
Zhong-Fa Sun, Marc C. van Hemert, Jerome Loreau, Ad van der Avoird, Arthur G. Suits, David H. Parker
Article
Chemistry, Multidisciplinary
Chung-Hsin Yang, Surjendu Bhattacharyya, Lihong Liu, Wei-hai Fang, Kopin Liu
Article
Chemistry, Physical
Sergey Yu. Ketkov, Sheng-Yuan Tzeng, Elena A. Rychagova, Anton N. Lukoyanov, Wen-Bih Tzeng
Summary: Metallocenes, including methylcobaltocene, play important roles in various fields of chemistry. The ionization energy and vibrational structure of (Cp ')(Cp)Co can be influenced by introducing methyl substituents. The mass-analyzed threshold ionization spectrum and DFT calculations provide accurate information about the properties and transformations of (Cp ')(Cp)Co.
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
Da Hye Yang, Francesco Ricci, Fredrik L. Nordstrom, Na Li
Summary: Through systematic evaluation of the oiling-out behavior of procaine, we identified both stable and metastable liquid-liquid phase separation, and established phase diagrams to assist in rational selection of crystallization strategies.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Vikki Anand Varma, Simmie Jaglan, Mohd Yasir Khan, Sujin B. Babu
Summary: Designing engineering structures like nanocages, shells, and containers through self-assembly of colloids is a challenging problem. This work proposes a simple model for the subunit, which leads to the formation of monodispersed spherical cages or containers. The model with only one control parameter can be used to design cages with the desired radius.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Hainan Jiang, Yaolong He, Xiaolin Li, Zhiyao Jin, Huijie Yu, Dawei Li
Summary: The cycling lifespan and coulombic efficiency of lithium-ion batteries are crucial for high C-rate applications. The Li-ion concentration plays a crucial role in determining the mechanical integrity and structural stability of electrodes. This study focuses on graphite as the working electrode and establishes an experimental system to investigate the mechanical properties of composite graphite electrode at different C-rates. Considering the effect of Li-ion concentration in stress analysis is found to be significant.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Zhiye Wang, Yunchuan Li, Mingjun Sun
Summary: This study investigates the influence of intramolecular pi-pi interactions on the electronic transport capabilities of molecules. By designing and analyzing three pi-conjugated molecules, the researchers observe that different pi-conjugated structures have varying effects on electron transport. The findings provide a theoretical foundation for designing single-molecule electronic devices with multiple electron channels based on intramolecular pi-pi interactions.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Yuandong Xu, Haoyang Feng, Chaoyang Dong, Yuqing Yang, Meng Zhou, Yajun Wei, Hui Guo, Yaqing Wei, Jishan Su, Yingying Ben, Xia Zhang
Summary: Hollow MoS2 cubes and spheres were successfully synthesized using a one-step hydrothermal method with the hard template method. The hollow MoS2 cubes exhibited higher specific capacitance and energy density compared to the hollow MoS2 spheres. The symmetrical supercapacitors assembled with these hollow structures showed good performance and high capacity retention after multiple cycles. These findings suggest that controlling the pore structure and surface characteristics of MoS2 is crucial for enhancing its electrochemical properties.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Ainhoa Oliden-Sanchez, Rebeca Sola-Llano, Joaquin Perez-Pariente, Luis Gomez-Hortiguela, Virginia Martinez-Martinez
Summary: The combination of photoactive molecules and inorganic structures is important for the development of advanced materials in optics. In this study, bulky dyes were successfully encapsulated in a zeolitic framework, resulting in emission throughout the visible spectrum.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Miaomiao Zhang, Cunyuan Pei, Qiqi Xiang, Lintao Liu, Zhongxu Dai, Huijuan Ma, Shibing Ni
Summary: The design of a solid electrolyte interphase (SEI) plays a crucial role in improving the electrochemical performance of anode materials. In this study, lithium difluoro(oxalate)borate (LiDFOB) is used as an electrolyte additive to form a protective SEI film on Li3VO4 (LVO) anodes. The addition of LiDFOB results in a dense, uniform, stable, and LiF-richer SEI, which enhances the Li-ion storage kinetics. The generated SEI also prevents further decomposition of the electrolyte and maintains the morphology of LVO anodes during charge/discharge processes. This work demonstrates the effectiveness of LiDFOB as a multi-functional additive for LiPF6 electrolytes and provides insights into SEI construction for high-performance LVO anodes.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
B. V. Andryushechkin, T. V. Pavlova, V. M. Shevlyuga
Summary: The atomic structure of the Ag(111)-p(4 x 4)-O phase was reexamined and two phases with the same periodicity were discovered. It was demonstrated that the accepted Ag6 model is incompatible with high-resolution oxygen-sensitive STM images.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
S. L. Romo-Avila, D. Marquez-Ruiz, R. A. Guirado-Lopez
Summary: In this study, we used density functional theory (DFT) calculations to investigate the interaction between model graphene oxide (GO) nanostructures and chlorine monoxide ClO. We aimed to understand the role of this highly oxidizing species in breaking C-C bonds and forming significant holes on GO sheets. Our results showed that C-C bonds in a single graphene oxide sheet can be broken through a simple mechanism involving the dissociation of two chemically attached ClO molecules. The formation of carbonyl groups and holes on the GO surface was also observed. This study provides important insights into the degradation of carbon nanotubes and the stability of GO during the myeloperoxidase (MPO) catalytic cycle.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Alberto Garcia-Fernandez, Birgit Kammlander, Stefania Riva, Hakan Rensmo, Ute B. Cappel
Summary: In this study, the X-ray stability of five different lead halide perovskite compositions (MAPbI3, MAPbCl3, MAPbBr3, FAPbBr3, CsPbBr3) was investigated using photoelectron spectroscopy. Different degradation mechanisms and resistance to X-ray were observed depending on the crystal composition. Overall, perovskite compositions based on the MA+ cation were found to be less stable than those based on FA+ or Cs+. Metallic lead formation was most easily observed in the chloride perovskite, followed by bromide, and very little in MAPbI3. Multiple degradation processes were identified for the bromide compositions, including ion migration, formation of volatile and solid products, as well as metallic lead. CsBr was formed as a solid degradation product on the surface of CsPbBr3.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Timofei Rostilov, Vadim Ziborov, Alexander Dolgoborodov, Mikhail Kuskov
Summary: The shock-loading behavior of nanomaterials is investigated in this study. It is found that shock compaction waves exhibit a distinct two-step structure, with the formation of faster precursor waves that travel ahead of the main compaction waves. The complexity of the shock Hugoniot curve of the tested nanomaterial is described, and the effect of initial porosity on the compressed states is demonstrated.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Sergey S. Nikitin, Alexander D. Koryakov, Elizaveta A. Antipinskaya, Alexey A. Markov, Mikhail V. Patrakeev
Summary: The stability of La1/3Sr2/3Fe1-xMnxO3-delta, a perovskite-type oxide, under reducing conditions is dependent on the manganese content. Increasing the manganese content leads to a decrease in stability. The behavior of iron and manganese in the oxide shows distinct differences, which can be attributed to the difference in the enthalpy of oxidation reactions. Additionally, the change in the La/Sr ratio affects the concentration of iron and manganese ions.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Mosayeb Naseri, Shirin Amirian, Mehrdad Faraji, Mohammad Abdur Rashid, Maicon Pierre Lourenco, Venkataraman Thangadurai, D. R. Salahub
Summary: Inspired by the successful transfer of freestanding ultrathin films of SrTiO3 and BiFeO3, this study assessed the structural stability and investigated the electronic, optical, and thermoelectric properties of a group of two-dimensional perovskite-type materials called perovskenes. The findings revealed that these materials are wide bandgap semiconductors with potential application in UV shielding. Moreover, they exhibit better electrical and thermal conductivity at high temperatures, enabling efficient power generation in thermoelectric devices.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)