C60 building blocks with tuneable structures for tailored functionalities by Darius Kayley, Bo Peng

Subjects: “…Electronic structures…”
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MoS₂ BAND GAP MODIFICATION UPON REPLACEMENT OF SULFUR ATOMS BY TELLURIUM ONES by A. V. Krivosheeva, V. L. Shaposhnikov, V. E. Borisenko

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Mathematical Simulation of Graphene With Modified c-c Bond Length and Transfer Energy by P.A. Alvi, S.Z. Hashmi, S. Dalela, F. Rahman

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Topological surface states of semimetal TaSb2 by Ji-Eun Lee, Yu Liu, Jinwoong Hwang, Choongyu Hwang, Cedomir Petrovic, Se Young Park, Hyejin Ryu, Sung-Kwan Mo

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Se‐Assisted Modulation of Electronic Structure of Ruthenium Phosphide Nanotubes for Efficient Alkaline Hydrogen Evolution Reaction by Yongju Hong, Eunsoo Lee, Jae Hun Seol, Tae Kyung Lee, Songa Choi, Seong Chan Cho, Taekyung Kim, Hionsuck Baik, Sangyeon Jeong, Sung Jong Yoo, Sang Uck Lee, Kwangyeol Lee

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Modern Interpretation of Periodic Phenomenon by G. N. Fadeev, Yu. A. Lebedev, N. N. Dvulichanskaya

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RECONSTRUCTION OF DIVACANCY IN ZIGZAG-BUCKLED SILICENE NANORIBBONS by Van Chinh Ngo, Nguyen Huu Hanh Pham, Thi Kim Quyen Nguyen, Thi Kim Loan Phan, Thanh Tra Vu

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Te-Modulated Fe Single Atom with Synergistic Bidirectional Catalysis for High-Rate and Long–Cycling Lithium-Sulfur Battery by Jian Guo, Lu Chen, Lijun Wang, Kangfei Liu, Ting He, Jia Yu, Hongbin Zhao

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Macroscopic Structural Transition of Nickel Dithiolate Capsule with Uniaxial Magnetic Anisotropy in Water by Tomoko Fujino, Mafumi Hishida, Masatoshi Ito, Toshikazu Nakamura, Mizue Asada, Naoya Kurahashi, Hisao Kiuchi, Yoshihisa Harada, Koji Harano, Rie Makiura, Kanokwan Jumtee Takeno, So Yokomori, Hiroshi Oike, Hatsumi Mori

Subjects: “…electronic structure…”
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THE INFLUENCE OF DEFECTS ON THE ELECTRONIC PROPERTIES OF STRUCTURES OF LAYERED DICHALCOGENIDES OF REFRACTORY METALS by A. V. Krivosheeva, V. L. Shaposhnikov, A. Yu. Alexeev

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XPS study and electronic structure of non-doped and Cr+ ion implanted CuO thin films by Katarzyna Ungeheuer, Amelia E. Bocirnea, Konstanty W. Marszalek, Waldemar Tokarz, Denis A. Pikulski, Zbigniew Kąkol, Aurelian C. Galca

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Structural and Vibrational Characterizations of Alizarin Red S by César A. N. Catalán, Licínia L. G. Justino, Rui Fausto, Gulce O. Ildiz, Silvia Antonia Brandán

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Emergent B2 chemical orderings in the AlTiVNb and AlTiCrMo refractory high-entropy superalloys studied via first-principles theory and atomistic modelling by Christopher D Woodgate, Hubert J Naguszewski, David Redka, Ján Minár, David Quigley, Julie B Staunton

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Research progress on activity regulation strategy of catalysts for hydrogenation saturation of polycyclic aromatic hydrocarbons by Jieying JING, Tao TIAN, Yu ZHANG, Wenying LI

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Vacancy Formation and Clustering Behavior in <i>δ</i>-MoN: A Systematic Density Functional Theory Study by Jing Yu, Keda Wang

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First-Principles Study on the Migration and Release Properties of Xe on the Surface of Uranium Mononitride by Tianhao Rui, Yulin Lan, Zhuangzhuang Ma, Linyuan Lu, Yunhao Wang, Yang Yu, Mingxuan Deng, Tianxing Lan, Zhekang Zhao, Junjie Wang, Congyi Li, Haibin Zhang

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Computational insights into the electronic, chemical, and thermodynamic properties of borazine and its derivatives by S. Haque, M.A. Rahman, M.A.M. Islam, A. Hossain

Subjects: “…Electronic structure…”
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Electronic structure and defect states in bismuth and antimony sulphides identified by energy-resolved electrochemical impedance spectroscopy by Daria Miliaieva, Vojtech Nadazdy, Mykhailo Koltsov, Cibrán López, Hanieh Saeeyekta, Jaroslav Kuliček, Claudio Cazorla, Edgardo Saucedo, Raitis Grzibovskis, Aivars Vembris, Malle Krunks, Bohuslav Rezek, Nicolae Spalatu

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Understanding the transport behaviour of PbSe: A combined experimental and computational study by Isha Sihmar, Abhishek Pandey, Vinod Kumar Solet, Neeru Chaudhary, Navdeep Goyal, Sudhir K. Pandey

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An <i>Ab Initio</i> Electronic Structure Investigation of the Ground and Excited States of ScH⁺, YH⁺, and LaH⁺ by Isuru R. Ariyarathna

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