Authors: Peyton, Benjamin G., Stewart, Zachary J., Weidman, Jared D., Wilson, Angela K.

Source: Journal of Chemical Physics; 11/28/2023, Vol. 159 Issue 20, p1-10, 10p

Subject Terms: TIME-dependent Schrodinger equations, CHARGE transfer, SPIN-orbit interactions, EXCITED states, TRANSITION metal complexes, TRANSITION metals, LASER pulses

Authors: Cheng, Jiewei, Li, Tingwei, Wang, Yongyi, Ati, Ahmed H., Sun, Qiang

Source: Journal of Chemical Physics; 11/21/2023, Vol. 159 Issue 19, p1-5, 5p

Subject Terms: CHEMICAL bond lengths, ADSORPTION, VALENCE bonds, DENSITY functional theory, HYDROGEN storage, TRANSITION metals

Authors: Ding, W. J., Li, Xin, Zhao, Zhenjie, Xie, Wenhui

Source: Journal of Applied Physics; 11/14/2023, Vol. 134 Issue 18, p1-8, 8p

Subject Terms: MAGNETISM, TRANSITION metals, HEUSLER alloys, DENSITY functional theory, MAGNETIC properties, CHALCOGENS

Authors: Carter-Fenk, Kevin, Shee, James, Head-Gordon, Martin

Source: Journal of Chemical Physics; 11/7/2023, Vol. 159 Issue 17, p1-8, 8p

Subject Terms: PERTURBATION theory, REGULARIZATION parameter, THERMOCHEMISTRY, TRANSITION metals, SMALL molecules

Authors: Mukherjee, Soumya, NM, Anjan Kumar, Mondal, Ayan, Mahalingam, Venkataramanan, Kamaraju, N.

Source: Journal of Chemical Physics; 10/28/2023, Vol. 159 Issue 16, p1-11, 11p

Subject Terms: PHOTODARKENING (Optics), EXCITON theory, NANOSTRUCTURED materials, FRACTIONS, TRANSITION metals, DATA transmission systems, OPTOELECTRONICS

Authors: Zhang, Hongyu, Xue, Xiong-Xiong, Guo, Gencai, Meng, Haiyu, Qi, Xiang, Zhong, Jianxin, Huang, Zongyu

Source: Journal of Chemical Physics; 10/28/2023, Vol. 159 Issue 16, p1-13, 13p

Subject Terms: ELECTROCATALYSIS, AB-initio calculations, GIBBS' free energy, ATOMS, OXYGEN evolution reactions, TRANSITION metals, HYDROGEN evolution reactions

Authors: Ichibha, Tom, Nikaido, Yutaka, Bennett, M. Chandler, Krogel, Jaron T., Hongo, Kenta, Maezono, Ryo, Reboredo, Fernando A.

Source: Journal of Chemical Physics; 10/28/2023, Vol. 159 Issue 16, p1-13, 13p

Subject Terms: MONTE Carlo method, TRANSITION metal oxides, PSEUDOPOTENTIAL method, TRANSITION metals

Authors: Bunting, Rhys J., Caffrey, Nuala M.

Source: Journal of Chemical Physics; 10/14/2023, Vol. 159 Issue 14, p1-6, 6p

Subject Terms: HYDROGEN evolution reactions, ATOMIC hydrogen, DENSITY functional theory, TRANSITION metals, SULFUR

Authors: Dutta, Achintya, Ashok, P., Verma, Amit

Source: Journal of Applied Physics; 10/14/2023, Vol. 134 Issue 14, p1-11, 11p

Subject Terms: HIGH temperatures, VANADIUM dioxide, THIN films, THIN film devices, PHASE transitions, METAL-insulator transitions, TRANSITION metals, SUPERCONDUCTING transition temperature, VANADIUM

Authors: Ciesler, Matthew, West, Damien, Zhang, Shengbai

Source: Journal of Applied Physics; 10/14/2023, Vol. 134 Issue 14, p1-8, 8p

Subject Terms: TRANSITION metals, RIESZ spaces, BORON nitride, TRANSITION metal oxides, SUPERCONDUCTIVITY, INTEGERS, PHYSICS

Authors: Rikka, Vallabha Rao^1,2 (AUTHOR), Sahu, Sumit Ranjan¹ (AUTHOR), Gurumurthy, Mrinalini¹ (AUTHOR), Chatterjee, Abhijit² (AUTHOR), Chandran, Sudakar³ (AUTHOR), Sundararajan, Govindan^1,4 (AUTHOR), Gopalan, Raghavan^1,4 (AUTHOR), Prakash, Raju¹ (AUTHOR) rprakash@arci.res.in

Source: Energy Technology. Nov2023, Vol. 11 Issue 11, p1-9. 9p.

Subject Terms: *Transition metals, *Lithium, Transition metal oxides, Solid electrolytes, Lithium-ion batteries, High temperatures, Cathodes, Electrochemical electrodes

Authors: Zhao, Qiyi, Ren, Yani, Li, Lu, He, Chuan, Che, Junling, Jia, Rongkai, Xu, Yonggang, Zhu, Lipeng, Xu, Xinlong

Source: Journal of Applied Physics; 9/28/2023, Vol. 134 Issue 12, p1-12, 12p

Subject Terms: ANISOTROPY, SEMICONDUCTORS, DENSITY functional theory, TRANSITION metals, OPTOELECTRONIC devices, CHALCOGENS, TRANSITION metal oxides

Authors: Chen, Ze-Yan, Wang, Yue-Yi, Hou, Ting-Ping, Liu, Nan-Shu, Lin, Heng-Fu

Source: Journal of Applied Physics; 9/28/2023, Vol. 134 Issue 12, p1-11, 11p

Subject Terms: TRANSITION metals, MAGNETISM, DIPOLE moments, SEMICONDUCTORS, MAGNETIC semiconductors

Authors: Duran, T. A., Yayak, Y. O., Aydin, H., Peeters, F. M., Yagmurcukardes, M.

Source: Journal of Applied Physics; 9/28/2023, Vol. 134 Issue 12, p1-29, 29p

Subject Terms: TRANSITION metal oxides, SURFACES (Technology), TRANSITION metals, GRAPHENE oxide, NANOTECHNOLOGY, LEANNESS

Authors: Ovchenkova, I. А., Kurganskaya, A. A., Ovchenkova, A. E., Morozkin, А. V., Tereshina, I. S., Nikitin, S. A.

Source: Journal of Applied Physics; 9/21/2023, Vol. 134 Issue 11, p1-7, 7p

Subject Terms: MAGNETOCALORIC effects, MAGNETIC transitions, PHASE transitions, TERBIUM, MAGNETIC susceptibility, TRANSITION metals, MAGNETIZATION

Authors: Lin, Weijie, Yin, Wen-Jin, Wen, Bo

Source: Journal of Chemical Physics; 9/7/2023, Vol. 159 Issue 9, p1-7, 7p

Subject Terms: HYDROGEN evolution reactions, CATALYSTS, EXCESS electrons, CATALYTIC activity, DENSITY functional theory, TRANSITION metals

Authors: Murayama, D., Ohmura, S., Kodama, R., Ozaki, N.

Source: Journal of Applied Physics; 9/7/2023, Vol. 134 Issue 9, p1-10, 10p

Subject Terms: CHEMICAL bonds, CHEMICAL properties, ELECTRONIC density of states, ELECTRON distribution, TRANSITION metals, ELECTRON density, OXYGEN carriers

Authors: Fransson, J.

Source: Journal of Chemical Physics; 8/28/2023, Vol. 159 Issue 8, p1-9, 9p

Subject Terms: RARE earth metals, RARE earths, HIGH temperatures, LOW temperatures, TRANSITION metals, RARE earth metal alloys

Authors: Huang, Anhua, Ke, Shasha, Guan, Ji-Huan, Lou, Wen-Kai

Source: Journal of Applied Physics; 8/28/2023, Vol. 134 Issue 8, p1-9, 9p

Subject Terms: TRANSITION metals, FERMI energy, SPIN-orbit coupling, ENERGY bands, ELECTRONIC structure, SPIN-orbit interactions

Authors: Zuo, Hua-Mei, Xu, Wang-Ping, Wu, Guang, Wei, Xiao-Lin, Zhou, Yun, Cao, Jue-Xian

Source: Journal of Applied Physics; 8/28/2023, Vol. 134 Issue 8, p1-7, 7p

Subject Terms: NITROGEN oxides, COPPER, CHARGE transfer, ORBITAL interaction, METALLIC surfaces, TRANSITION metals