Mapping Acid–Base Sites on Anatase Titania (100) and (101) Surfaces by Density Functional Theory: The Link Between Lewis Acidity and the Surface Ability to Flex by Alexey V. Ignatchenko, Paige E. Denman

“…The acidity of anatase titania before and after KOH doping was probed by pyridine adsorption in a pulse microreactor and modeled by DFT optimization of the geometry of CO and pyridine adsorption on a periodic slab of (101) and (100) surfaces using a GGA/PBE functional and verified by an example of a single-point calculation of the optimized geometry using an HSE-06 hybrid functional. …”
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Electron and Positron State in Layered Nanostructures «Metal – Insulator» by А.V. Babich, P.V. Vakula, А.V. Korotun, V.I. Reva, V.V. Pogosov

“…Dielectric environment generally leads to negative changes in the electron work function and surface energy. In view of the conduction band of the dielectric (solid inert gases, ) dimensional effects, the impact of effective mass to energy and positron annihilation characteristics in layered structures with self-consistent hybrid potential profiles, which built in the local density approximation and crosslinked with image potentials were investigated. …”
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A Versatile Ionic Liquid Additive for Perovskite Solar Cells: Surface Modification, Hole Transport Layer Doping, and Green Solvent Processing by Seong‐Jin Jeong, Sung Hwan Park, Siwon Yun, Meng Qiang Li, Dasol Kim, Yongchan Kim, Yun Hee Chang, Jaewon Lee, Jongchul Lim, Tae‐Youl Yang

“…Abstract Hole‐transport layers (HTL) in perovskite solar cells (PSCs) with an n‐i‐p structure are commonly doped by bis(trifluoromethane)sulfonimide (TFSI) salts to enhance hole conduction. …”
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Adsorption of barium on surface of GaN(0001) by M.N. Lapushkin

“…For the first time, the adsorption of barium atoms on the surface of the (0001) face of GaN was calculated using the density functional method. …”
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Deciphering Surface-Localized Structure of Nanodiamonds by Li Ma, Zhijie He, Keyuan Chen, Hanqing Li, Yongzhi Wu, Jueyi Ye, Hongying Hou, Ju Rong, Xiaohua Yu

“…DFT methods enable computation of the surface layer to capture subtle electronic characteristics, while the internal core is analyzed via MD. …”
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Mechanical prediction method of strata movement and surface subsidence in backfill-strip mining by Xiaojun Zhu, Feng Zha, Guangli Guo, Qingliang Chang, Hui Liu, Xiaoyu Yang

“…Then, this function is transmitted to the space-layer mechanical model through the interface. …”
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Performance and Secrecy Analysis of Cooperative Full-Duplex NOMA System With Fountain Codes and Intelligent Reflective Surface by Phu Tran Tin, Minh-Sang Van Nguyen, Tran Trung Duy, Van Huy Pham, Le Viet Thanh, Byung-Seo Kim

“…This manuscript investigates a NOMA-based downlink configuration that integrates IRS and functions in a physical layer security (PLS) scenario, accounting for self-interference (SI) inherent to full-duplex (FD) operation. …”
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The Effect of Nodal Deviation on the Reliability Performance of the Optimized Free-Form Single-Layer Reticulated Shell by Dong Li, Baoshi Jiang

“…The free-form single-layer reticulated shell structure has the characteristics of complex shape, a high degree of static indeterminacy, and difficult node positioning in the construction process, and the nodal deviations that may occur in the construction stage have a significant impact on the reliability performance of the structure. …”
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Silanised Fluoride Hydrotalcites as Functional and Multicomponent Fillers for Dental Composites by Morena Nocchetti, Michela Piccinini, Antonio Scafuri, Alessandro Di Michele, Valeria Ambrogi

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Experiments and optimization for the WEDM process: A trade-off analysis between surface quality and production rate by Trung Thanh Nguyen, Xuan Phuong Dang, Truong An Nguyen, Quang Hung Trinh

“… This work addressed a parameter optimization to simultaneously decrease the root mean square roughness (Rq) as well as the thickness of the white layer (TW) and improve the material removal rate (MRR) for the wire electro-discharge machining (WEDM) of a stainless steel 304 (SS304). …”
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Impact of continuous cropping on microbial biomass and enzyme activities in the surface layer of gravel-sand mulched soils in arid Northwest China: A Meta-analysis by XUE Yinmin, JIA Zhenjiang, MA Dongxiang, WU Yangyang, HUANG Yahao, HE Xuezhong, WU Xiu, LI Wangcheng

“…This study uses meta-analysis to investigates the impact of long-term continuous cropping on microbial biomass and enzyme activities in the surface layer of gravel-sand mulched soils in arid regions of Northwestern China.…”
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Functional Graphene Coatings in Electrochemical Energy Technology—Beyond Corrosion Protection by Qunting Qu, Lijun Fu, Lili Liu, Veniamin Kondratiev, Rudolf Holze

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Investigation on Acoustic Versus Functional Characteristics of Porous Asphalt by Filippo Giammaria Praticò, Rosario Fedele, Paolo Giovanni Briante

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Unveiling polyoxometalate redox properties at the nanoscale by Volatron, Florence, Izzet, Guillaume, Vuillaume, Dominique,  Proust, Anna

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Long-Term Evaluation of Ocular Surface and Meibomian Gland Function after Laser-Assisted in situ Keratomileusis Surgery by Kenneth Ka Hei Lai, Zhichao Hu, Jamie Tsun Chiu, Fatema Mohamed Ali Abdulla Aljufairi, Jake Uy Sebastian, George Pak Man Cheng, Wilson Wai Kuen Yip, Alvin Lerrmann Young, Clement Chee Yung Tham, Calvin Chi Pui Pang, Kelvin Kam Lung Chong

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Exploring corrosion protection of mild steel by ionic liquid functionalized graphene oxide: Gravimetric, electrochemical, and surface studies by M.Alharbi, Ruby Aslam, Ajahar Khan, Khalid A. Alamry, Mahmoud A. Hussein, Yas Al-Hadeethi, Elena Bekyarova, S. Alqahtani

“…XPS and AFM/SEM analyses confirmed and supported these results, indicating the formation of protective layer on the steel surface.…”
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Detailed Modeling of Surface-Plasmon Resonance Spectrometer Response for Accurate Correction by Ricardo David Araguillin-López, Angel Dickerson Méndez-Cevallos, César Costa-Vera

“…This work identifies and models the inline devices in an experimental surface-plasmon resonance spectroscopy setup to determine the system’s transfer function. …”
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Functional aligned mesenchymal stem cell sheets fabricated using micropatterned thermo-responsive cell culture surfaces by Kenichi Nagase, Hasumi Kuramochi, David W. Grainger, Hironobu Takahashi

“…In this study, patterned, temperature-responsive culture surfaces were used to prepare oriented MSC sheets. …”
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Designing multivalent NiMn-based layered nanosheets with high specific surface area and abundant active sites for solid-state hydrogen storage in magnesium hydride by Tao Zhong, Tian Xu, Liuting Zhang, Fuying Wu, Yiqun Jiang, Xuebin Yu

“…Microstructure observations and density functional theory calculations revealed that first, the hydrogen pumping effect of Mg2Ni/Mg2NiH4 promotes the adsorption and desorption of hydrogen molecules on the surface of MgH2, second, MnOx drew electrons from Mg2Ni, producing a new Density of State structure with a lower d-bond center. …”
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Fabrication of low thermal resistance 3C-SiC/diamond structure for GaN epitaxial layer growth by Ryo Kagawa, Yutaka Ohno, Yasuyoshi Nagai, Naoteru Shigekawa, Jianbo Liang

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