Search Results - "Yu, Xiaohu"

The Key Role of Support Surface Hydrogenation in the CH4 to CH3OH Selective Oxidation by a ZrO2‑Supported Single-Atom Catalyst by Harrath, Karim, Yu, Xiaohu, Xiao, Hai, Li, Jun

“…Direct conversion of methane to methanol has attracted much interest and yet remains a challenge. Here, we investigate the catalytic mechanisms for methane…”
Get full text

A computational study on water adsorption on Cu2O(111) surfaces: The effects of coverage and oxygen defect by Yu, Xiaohu, Zhang, Xuemei, Wang, Shengguang, Feng, Gang

“…Water adsorption on the clean and defective Cu2O(111) surfaces with different coverages was investigated using spin-polarized density functional theory. •Only…”
Get full text

High-Coverage H2 Adsorption on the Reconstructed Cu2O(111) Surface by Yu, Xiaohu, Zhang, Xuemei, Wang, Hongtao, Wang, Zhiyin, Feng, Gang

“…The adsorption of H2 on the Cu2O­(111) surface has been studied by spin-polarized density functional theory (DFT+U) calculations and atomic thermodynamics. It…”
Get full text

Efficient synthesis of highly dispersed ultrafine Pd nanoparticles on a porous organic polymer for hydrogenation of CO2 to formate by Shao, Xianzhao, Miao, Xinyi, Yu, Xiaohu, Wang, Wei, Ji, Xiaohui

“…Precise design of catalytic supports is an encouraging technique for simultaneously improving the activity and stability of the catalyst. However, development…”
Get full text

Unprecedentedly high activity and selectivity for hydrogenation of nitroarenes with single atomic Co1-N3P1 sites by Jin, Hongqiang, Li, Peipei, Cui, Peixin, Shi, Jinan, Zhou, Wu, Yu, Xiaohu, Song, Weiguo, Cao, Changyan

“…Transition metal single atom catalysts (SACs) with M 1 -N x coordination configuration have shown outstanding activity and selectivity for hydrogenation of…”
Get full text

Adsorption of Ni, Pd, Pt, Cu, Ag and Au on the Fe3O4(111) surface by Yu, Xiaohu, Tian, Xinxin, Wang, Shengguang

Get full text

Density functional theory calculations on oxygen adsorption on the Cu2O surfaces by Yu, Xiaohu, Zhang, Xuemei, Tian, Xinxin, Wang, Shengguang, Feng, Gang

“…•Atomic oxygen adsorption on Cu2O(110) and Cu2O(100) induces surface reconstruction.•Atomic O and molecular O2 adsorption on the Cu2O(100) surface is stronger…”
Get full text

A stable and strongly ferromagnetic Fe17O10– cluster with an accordion-like structure by Geng, Lijun, Yu, Xiaohu, Luo, Zhixun

“…Isolated clusters are ideal systems for tailoring molecule-based magnets and investigating the evolution of magnetic order from microscopic to macroscopic…”
Get full text

A first principle study on the magnetic properties of Cu2O surfaces by Yu, Xiaohu, Zhang, Xuemei, Wang, Shengguang, Feng, Gang

“…Spin-polarized density functional theory calculations were performed to investigate the magnetism of bulk and Cu2O surfaces. It is found that bulk Cu2O,…”
Get full text

Single Gold Atom Adsorption on the Fe3O4(111) Surface by Yu, Xiaohu, Wang, Sheng-Guang, Li, Yong-Wang, Wang, Jianguo, Jiao, Haijun

“…For understanding the catalytic activity of Fe3O4-supported gold catalysts, the adsorption structures and energies of a single Au atom on the six terminations…”
Get full text

Non-noble metal single-atom catalyst of Co1/MXene (Mo2CS2) for CO oxidation by Talib, Shamraiz Hussain, Baskaran, Sambath, Yu, Xiaohu, Yu, Qi, Bashir, Beenish, Muhammad, Shabbir, Hussain, Sajjad, Chen, Xuenian, Li, Jun

“…MXene is a variety of new two-dimensional (2D) materials with early transition metal carbides, nitrides, and carbonitrides. Quantum chemical studies have been…”
Get full text

A novel pilot differential protection for HVDC transmission line based on the differential voltage by Zhang, Fengming, Han, Ke, Yu, Xiaohu, Wu, Jiayi, Chen, Yu, Wen, Minghao

“…The HVDC transmission system has played an important role in modern power system. In traditional HVDC transmission line protection, the differential protection…”
Get full text

Imidazoline Gemini Surfactants as Corrosion inhibitor for Copper in NaCl Solution by Wenchang, Zhuang, Xiqiu, Wang, Xinze, Luo, Zhitai, Jia, Yalei, Ma, Xiaohu, Yu, Hanqing, Pan

“…The Gemini imidazoline surfactants were synthesized from a series of saturated fatty acids. Their corrosion inhibition on copper in NaCl solution was studied…”
Get full text

Hydroformylation over polyoxometalates supported single-atom Rh catalysts by Feng, Shixiang, Yu, Qi, Ma, Xinbin, Yu, Xiaohu, Yan, Ning

“…Atomic dispersion of Rh on phosphotungstic acid (PTA) salts was achieved by a self-assembled precipitation method using alkali metal ions as coprecipitation…”
Get full text

Adsorption of Nin (n = 1‒4) clusters on perfect and O-defective CuAl2O4 surfaces: A DFT study by Li, Li, Shi, Liu, Yu, Xiaohu, Qing, Shaojun, Gao, Zhixian, Luo, Qiquan, Feng, Gang, Zhang, Rongbin

“…The adsorption energies for single Ni atom on CuAl2O4 (100) and (110) surfaces are −5.30 and −4.08 eV, respectively. The growth and aggregation of Ni can be…”
Get full text

DFT+U Study of Molecular and Dissociative Water Adsorptions on the Fe3O4(110) Surface by Yu, Xiaohu, Li, Yanni, Li, Yong-Wang, Wang, Jianguo, Jiao, Haijun

“…Spin-polarized density functional theory method (GGA+U) and periodic supercell model have been used to study water adsorption properties on the Fe3O4(110)…”
Get full text

Theoretical Inspection of M 1 /PMA Single-Atom Electrocatalyst: Ultra-High Performance for Water Splitting (HER/OER) and Oxygen Reduction Reactions (OER) by Talib, Shamraiz Hussain, Lu, Zhansheng, Yu, Xiaohu, Ahmad, Khalil, Bashir, Beenish, Yang, Zongxian, Li, Jun

Get full text

Theoretical Inspection of M1/PMA Single-Atom Electrocatalyst: Ultra-High Performance for Water Splitting (HER/OER) and Oxygen Reduction Reactions (OER) by Talib, Shamraiz Hussain, Lu, Zhansheng, Yu, Xiaohu, Ahmad, Khalil, Bashir, Beenish, Yang, Zongxian, Li, Jun

“…Developing a cost-effective and highly efficient electrocatalyst with superior catalytic activity is crucial for clean and green water splitting, including the…”
Get full text

Subspace-based noise variance and SNR estimation for OFDM systems [mobile radio applications] by Xiaodong Xu, Ya Jing, Xiaohu Yu

“…Noise variance and hence signal to noise ratio (SNR) estimates are very important for the channel quality control in communication systems. Noting that in…”
Get full text

Photo-/electrocatalytic approaches to CO2 conversion on Cu2O-based catalysts by Zhao, Zixuan, Wang, Hongtao, Yu, Qi, Roy, Soumendra, Yu, Xiaohu

“…Carbon dioxide (CO2) reduction reaction (CO2RR) with renewable energy represents a promising way for effective utilization of the major anthropogenic…”
Get full text