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Perspective on computational reaction prediction using machine learning methods in heterogeneous catalysis

Physical chemistry chemical physics : PCCP, 2021-05, Vol.23 (19), p.11155-11179

2021

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Atomic Insights into the Cu Species Supported on Zeolite for Direct Oxidation of Methane to Methanol via Low‐Damage HAADF‐STEM

Advanced materials (Weinheim), 2023-06, Vol.35 (25), p.e2208504-n/a

2023

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Phosphorus-Mo2C@carbon nanowires toward efficient electrochemical hydrogen evolution: composition, structural and electronic regulation

Energy & environmental science, 2017, Vol.10 (5), p.1262-1271

2017

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White-light emission from a single organic compound with unique self-folded conformation and multistimuli responsiveness

Chemical science (Cambridge), 2018-07, Vol.9 (26), p.5709-5715

2018

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Bonding Strength Regulates Anchoring‐Based Self‐Assembly Monolayers for Efficient and Stable Perovskite Solar Cells

Advanced functional materials, 2021-08, Vol.31 (35), p.n/a

2021

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Direct oxidation of methane to oxygenates on supported single Cu atom catalyst

Applied catalysis. B, Environmental, 2021-05, Vol.285, p.119827, Article 119827

2021

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Origin of Efficient Catalytic Combustion of Methane over Co3O4(110): Active Low-Coordination Lattice Oxygen and Cooperation of Multiple Active Sites

ACS catalysis, 2016-08, Vol.6 (8), p.5508-5519

2016

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Role of miR-337-3p and its target Rap1A in modulating proliferation, invasion, migration and apoptosis of cervical cancer cells

Cancer biomarkers : section A of Disease markers, 2019-01, Vol.24 (3), p.257-267

Cao, Xiao-Ming

2019

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Metal–organic framework derived Co,N-bidoped carbons as superior electrode catalysts for quantum dot sensitized solar cells

Journal of materials chemistry. A, Materials for energy and sustainability, 2018, Vol.6 (5), p.2129-2138

2018

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Silver and Copper Dual Single Atoms Boosting Direct Oxidation of Methane to Methanol via Synergistic Catalysis

Advanced science, 2023-09, Vol.10 (26), p.e2302143-n/a

2023

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Highly Selective Detection of Carbon Monoxide in Living Cells by Palladacycle Carbonylation-Based Surface Enhanced Raman Spectroscopy Nanosensors

Analytical chemistry (Washington), 2015-10, Vol.87 (19), p.9696-9701

2015

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Structural characterization of self-assembled chain like Fe-FeOx Core shell nanostructure

Nanoscale research letters, 2019-09, Vol.14 (1), p.308-12, Article 308

2019

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Origin of Low CO2 Selectivity on Platinum in the Direct Ethanol Fuel Cell

Angewandte Chemie (International ed.), 2012-02, Vol.51 (7), p.1572-1575

International ed. in English, 2012

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A fast species redistribution approach to accelerate the kinetic Monte Carlo simulation for heterogeneous catalysis

Physical chemistry chemical physics : PCCP, 2020-04, Vol.22 (14), p.7348-7364

2020

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Methane activation over a boron nitride catalyst driven by in situ formed molecular water

Catalysis science & technology, 2018, Vol.8 (8), p.2051-2055

2018

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Enhancing Metal-Support Interactions by Molybdenum Carbide: An Efficient Strategy toward the Chemoselective Hydrogenation of α,β-Unsaturated Aldehydes

Chemistry : a European journal, 2016-04, Vol.22 (16), p.5698-5704

2016

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Interface-tuned selective reductive coupling of nitroarenes to aromatic azo and azoxy: a first-principles-based microkinetics study

Physical chemistry chemical physics : PCCP, 2019, Vol.21 (23), p.12555-12565

2019

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Evidence To Challenge the Universality of the Horiuti–Polanyi Mechanism for Hydrogenation in Heterogeneous Catalysis: Origin and Trend of the Preference of a Non-Horiuti–Polanyi Mechanism

Journal of the American Chemical Society, 2013-10, Vol.135 (40), p.15244-15250

2013

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A tritopic carbanionic N-heterocyclic dicarbene and its homo- and heterometallic coinage metal complexes

Chemical communications (Cambridge, England), 2018, Vol.54 (45), p.5736-5739

2018

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Ultralow-temperature CO oxidation on an In2O3-Co3O4 catalyst: a strategy to tune CO adsorption strength and oxygen activation simultaneously

Chemical communications (Cambridge, England), 2014-07, Vol.50 (52), p.6835-6838

2014

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Screening performance of methane activation over atomically dispersed metal catalysts on defective boron nitride monolayers: A density functional theory study

Chinese chemical letters, 2021-06, Vol.32 (6), p.1972-1976

2021

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Visible-Light-Driven Valorization of Biomass Intermediates Integrated with H2 Production Catalyzed by Ultrathin Ni/CdS Nanosheets

Journal of the American Chemical Society, 2017-11, Vol.139 (44), p.15584-15587

2017

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Independent volume-in and volume-out control of an open circuit pump-controlled asymmetric cylinder system

Journal of Zhejiang University. A. Science, 2018-03, Vol.19 (3), p.203-210

2018

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Autografts vs Synthetics for Cruciate Ligament Reconstruction: A Systematic Review and Meta‐Analysis

Orthopaedic surgery, 2020-04, Vol.12 (2), p.378-387

2020

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Identification of SOX6 and SOX12 as Prognostic Biomarkers for Clear Cell Renal Cell Carcinoma: A Retrospective Study Based on TCGA Database

Disease markers, 2021, Vol.2021, p.7190301-17

2021

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Perspective on computational reaction prediction using machine learning methods in heterogeneous catalysis

Atomic Insights into the Cu Species Supported on Zeolite for Direct Oxidation of Methane to Methanol via Low‐Damage HAADF‐STEM

Phosphorus-Mo2C@carbon nanowires toward efficient electrochemical hydrogen evolution: composition, structural and electronic regulation

White-light emission from a single organic compound with unique self-folded conformation and multistimuli responsiveness

Bonding Strength Regulates Anchoring‐Based Self‐Assembly Monolayers for Efficient and Stable Perovskite Solar Cells

Direct oxidation of methane to oxygenates on supported single Cu atom catalyst

Origin of Efficient Catalytic Combustion of Methane over Co3O4(110): Active Low-Coordination Lattice Oxygen and Cooperation of Multiple Active Sites

Role of miR-337-3p and its target Rap1A in modulating proliferation, invasion, migration and apoptosis of cervical cancer cells

Metal–organic framework derived Co,N-bidoped carbons as superior electrode catalysts for quantum dot sensitized solar cells

Silver and Copper Dual Single Atoms Boosting Direct Oxidation of Methane to Methanol via Synergistic Catalysis

Highly Selective Detection of Carbon Monoxide in Living Cells by Palladacycle Carbonylation-Based Surface Enhanced Raman Spectroscopy Nanosensors

Structural characterization of self-assembled chain like Fe-FeOx Core shell nanostructure

Origin of Low CO2 Selectivity on Platinum in the Direct Ethanol Fuel Cell

A fast species redistribution approach to accelerate the kinetic Monte Carlo simulation for heterogeneous catalysis

Methane activation over a boron nitride catalyst driven by in situ formed molecular water

Enhancing Metal-Support Interactions by Molybdenum Carbide: An Efficient Strategy toward the Chemoselective Hydrogenation of α,β-Unsaturated Aldehydes

Interface-tuned selective reductive coupling of nitroarenes to aromatic azo and azoxy: a first-principles-based microkinetics study

Evidence To Challenge the Universality of the Horiuti–Polanyi Mechanism for Hydrogenation in Heterogeneous Catalysis: Origin and Trend of the Preference of a Non-Horiuti–Polanyi Mechanism

A tritopic carbanionic N-heterocyclic dicarbene and its homo- and heterometallic coinage metal complexes

Ultralow-temperature CO oxidation on an In2O3-Co3O4 catalyst: a strategy to tune CO adsorption strength and oxygen activation simultaneously

Screening performance of methane activation over atomically dispersed metal catalysts on defective boron nitride monolayers: A density functional theory study

Visible-Light-Driven Valorization of Biomass Intermediates Integrated with H2 Production Catalyzed by Ultrathin Ni/CdS Nanosheets

Independent volume-in and volume-out control of an open circuit pump-controlled asymmetric cylinder system

Autografts vs Synthetics for Cruciate Ligament Reconstruction: A Systematic Review and Meta‐Analysis

Identification of SOX6 and SOX12 as Prognostic Biomarkers for Clear Cell Renal Cell Carcinoma: A Retrospective Study Based on TCGA Database

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