Substitution preference of chromium ions in the clinker phase of ordinary Portland cement

Jianping Zhu, Qixiang Wu, Xuemao Guan and Ruiqi Zhao

New J. Chem., 2023, 47, 563
DOI: 10.1039/D2NJ04905H

Regulating the electronic and magnetic properties of 1T′-ReS2 by fabricating nanoribbons and transition-metal doping: a theoretical study

Simei Li, Shuqing Zhang and Ruiqi Zhao

Nanoscale, 2022, 14, 8454
DOI: 10.1039/D2NR00488G

Isolated Ni atoms induced edge stabilities and equilibrium shapes of CVD-prepared hexagonal boron nitride on the Ni(111) surface

Hongxia Zhu and Ruiqi Zhao

New J. Chem., 2022, 46, 17496
DOI: 10.1039/D2NJ03735A

Revealing initial nucleation of hexagonal boron nitride on Ru(0001) and Rh(111) surfaces by density functional theory simulations

Huanhuan Li, Hongxia Zhu and Ruiqi Zhao

New J. Chem., 2022, 46, 11035
DOI: 10.1039/D2NJ01702D

Hexagonal boron nitride on metal surfaces as a support and template

László Óvári, Arnold Péter Farkas, Krisztián Palotás, Gábor Vári, Imre Szenti, András Berkó, János Kiss and Zoltán Kónya

Surface Science Reports, 2024, 79, 100637
DOI: 10.1016/j.surfrep.2024.100637

Application of Pure and Au-Decorated YN (Y = B, Al, and Ga) Nanotubes as Good Media for Toxic Phosgene Oxime Gas Adsorption

Mustafa M. Kadhim, Taleeb Zedan Taban, Salah Ahmed Abdullaha, T. S. Alomar, Najla AlMasoud and Safa K. Hachim

J Clust Sci, 2023, 34, 2781
DOI: 10.1007/s10876-023-02414-x

Effect of plumbum on the solidification tendency in ordinary Portland cement clinker and its liquid phase properties

Qixiang Wu, Tian Han, Xuemao Guan and Jiangping Zhu

Construction and Building Materials, 2024, 411, 134614
DOI: 10.1016/j.conbuildmat.2023.134614

Exploring the role of Stone-Wales defect in boron nitride nano-sheet as a anode Mg-ion batteries

Hind Adnan Al-Sanjari, Suraa Reaad, Zainab Sabri Abbas, Rusal Rayid, Sallal A.H. Abdullaha, Safa K. Hachim, Mustafa M. Kadhim, Ahmed Mahdi Rheima and Anfal Ismael Ibrahim

Inorganic Chemistry Communications, 2022, 146, 110098
DOI: 10.1016/j.inoche.2022.110098

Edge modified zigzag GeS nanoribbon devices with tunable electronic properties and significant negative differential resistance effect: A first principle study

Min-Qi Zhu and Xue-Feng Wang

Surfaces and Interfaces, 2024, 46, 104201
DOI: 10.1016/j.surfin.2024.104201

Characterization of Erbium, Indium, and Erbium–Indium co-doped 8%mol Yttria-stabilized Zirconia

Tahereh Namdari, Sohrab Manouchehri and Mohammad Reza Loghman Estarki

J Mater Sci: Mater Electron, 2022, 33, 19434
DOI: 10.1007/s10854-022-08778-6

Revealing the nucleation mechanism of CVD-prepared hexagonal boron nitride on transition metal surfaces: A study from DFT calculations

Hongxia Zhu, Chong Chen, Jitai Niu and Ruiqi Zhao

Diamond and Related Materials, 2023, 140, 110402
DOI: 10.1016/j.diamond.2023.110402

Revealing the mechanism of manganese doping in sulphoaluminate cement clinker

Qixiang Wu, Ruiqi Zhao, Yingying Sun, Xuemao Guan and Jianping Zhu

Journal of Molecular Structure, 2024, 1301, 137305
DOI: 10.1016/j.molstruc.2023.137305

Quantum DFT methods to explore the interaction of 1-Adamantylamine with pristine, and P, As, Al, and Ga doped BN nanotubes

Ebrahim Nemati‐Kande, Amir Pourasadi, Fatemeh Aghababaei, Samaneh Baranipour, Ata Mehdizadeh and Jaber Jahanbin Sardroodi

Sci Rep, 2022, 12
DOI: 10.1038/s41598-022-24200-x

Carbon fixation of CO2 via cyclic reactions with borane in gaseous atmosphere leading to formic acid (and metaboric acid); A potential energy surface (PES) study

Marziyeh Mohammadi, Seyyed Amir Siadati, Sheida Ahmadi, Sepideh Habibzadeh, Mohammad Reza Poor Heravi, Zinatossadat Hossaini and Esmail Vessally

Front. Chem., 2022, 10
DOI: 10.3389/fchem.2022.1003086

Synthesis and experimental/theoretical evaluation of an efficient Calix[4]arene based sensor for selective detection of Pt2+ ion

Hamid Hadi and Reza Safari

Molecular Physics, 2022, 120
DOI: 10.1080/00268976.2022.2108516

Dynamic Process of Structural Change in Graphene Irradiated by Swift Heavy Ions

Dongdong Zhao

J. Electron. Mater., 2023, 52, 1145
DOI: 10.1007/s11664-022-10048-4

Effects of edge type and reconstruction on the electronic properties and magnetism of 1T′-ReS2 nanoribbons: A study based on DFT calculations

Simei Li, Mengli Zhao, Jinli Xue and Ruiqi Zhao

Journal of Magnetism and Magnetic Materials, 2023, 567, 170351
DOI: 10.1016/j.jmmm.2022.170351

Revealing the Mechanism of Manganese Doping in Sulphoaluminate Cement Clinker

Ruiqi Zhao, Qixiang Wu, Kuo Yang, Yang Chen, Xuemao Guan and Jianping Zhu

SSRN Journal, 2022
DOI: 10.2139/ssrn.4154934

Nucleation of CVD-prepared hexagonal boron nitride on Ni(100), Ni(110) and Ni(111) surfaces: A theoretical study

Hongxia Zhu and Ruiqi Zhao

Vacuum, 2022, 205, 111396
DOI: 10.1016/j.vacuum.2022.111396

Metal-fullerene assisted adsorption of dichlorosilane: DFT assessments

Yang Sun, Jing Zhu and Yuning Chen

Computational and Theoretical Chemistry, 2022, 1216, 113868
DOI: 10.1016/j.comptc.2022.113868