Non-metal boron atoms on a CuB12 monolayer as efficient catalytic sites for urea production

Effective CO Migration among Multiabsorbed Sites Achieves the Low-Barrier and High-Selective Conversion to C2 Products on the Ni2B5 Monolayer

(2021) Changyan Zhu et al.   ACS Applied Materials & Interfaces

Ordered Macroporous Superstructure of Nitrogen‐Doped Nanoporous Carbon Implanted with Ultrafine Ru Nanoclusters for Efficient pH‐Universal Hydrogen Evolution Reaction

(2021) Yu‐Lin Wu et al.   ADVANCED MATERIALS

Unveiling Electrochemical Urea Synthesis by Co‐Activation of CO2 and N2 with Mott‐Schottky Heterostructure Catalysts

(2021) Menglei Yuan et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Double sulfur vacancies by lithium tuning enhance CO2 electroreduction to n-propanol

(2021) Chen Peng et al.   Nature Communications

Boosting Selective Nitrogen Reduction via Geometric Coordination Engineering on Single‐Tungsten‐Atom Catalysts

(2021) Yu Gu et al.   ADVANCED MATERIALS

Operando Cooperated Catalytic Mechanism of Atomically Dispersed Cu−N 4 and Zn−N 4 for Promoting Oxygen Reduction Reaction

(2021) Miaomiao Tong et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Highly Selective CO2 Electroreduction to C2H4 Using a Metal–Organic Framework with Dual Active Sites

(2021) Xiao-Feng Qiu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Nitrogen reduction to ammonia at high efficiency and rates based on a phosphonium proton shuttle

(2021) Bryan H. R. Suryanto et al.   SCIENCE

Orbital coupling of hetero-diatomic nickel-iron site for bifunctional electrocatalysis of CO2 reduction and oxygen evolution

(2021) Zhiping Zeng et al.   Nature Communications

Electrochemical synthesis of urea on MBenes

(2021) Xiaorong Zhu et al.   Nature Communications

Platinum single-atom catalyst coupled with transition metal/metal oxide heterostructure for accelerating alkaline hydrogen evolution reaction

(2021) Kai Ling Zhou et al.   Nature Communications

Dual‐Sites Coordination Engineering of Single Atom Catalysts for Flexible Metal–Air Batteries

(2021) Deshuang Yu et al.   Advanced Energy Materials

Tackling the Activity and Selectivity Challenges of Electrocatalysts towards Nitrogen Reduction Reaction via Atomically Dispersed Bi-Atom Catalysts

(2020) Xiangyu Guo et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Planar Hypercoordinate Motifs in Two-Dimensional Materials

(2020) Yu Wang et al.   ACCOUNTS OF CHEMICAL RESEARCH

Coupling N2 and CO2 in H2O to synthesize urea under ambient conditions

(2020) Chen Chen et al.   Nature Chemistry

All Boron Atoms in a ScB12 Monolayer Contribute to the Hydrogen Evolution Reaction

(2020) Changyan Zhu et al.   Journal of Physical Chemistry C

Te-Doped Pd Nanocrystal for Electrochemical Urea Production by Efficiently Coupling Carbon Dioxide Reduction with Nitrite Reduction

(2020) Yonggang Feng et al.   NANO LETTERS

Theoretical investigation of CO2 electroreduction on N (B)-doped graphdiyne mononlayer supported single copper atom

(2020) Zhen Feng et al.   APPLIED SURFACE SCIENCE

Design of efficient electrocatalysts for hydrogen evolution reaction based on 2D MXenes

(2020) Yi Wei et al.   Journal of Energy Chemistry

Over 56.55% Faradaic efficiency of ambient ammonia synthesis enabled by positively shifting the reaction potential

(2019) Mengfan Wang et al.   Nature Communications

Two-Dimensional Anti-Van’t Hoff/Le Bel Array AlB6 with High Stability, Unique Motif, Triple Dirac Cones, and Superconductivity

(2019) Bingyi Song et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Boron Nanosheet: An Elemental Two-Dimensional (2D) Material for Ambient Electrocatalytic N2-to-NH3 Fixation in Neutral Media

(2019) Xiaoxue Zhang et al.   ACS Catalysis

Metal-Free B@g-CN: Visible/Infrared Light-Driven Single Atom Photocatalyst Enables Spontaneous Dinitrogen Reduction to Ammonia

(2019) Xingshuai Lv et al.   NANO LETTERS

New Mechanism for N2 Reduction: The Essential Role of Surface Hydrogenation

(2019) Chongyi Ling et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Borophene: A Metal‐free and Metallic Electrocatalyst for Efficient Converting CO 2 into CH 4

(2019) Gangqiang Qin et al.   ChemCatChem

Well-Defined Materials for Heterogeneous Catalysis: From Nanoparticles to Isolated Single-Atom Sites

(2019) Zhi Li et al.   CHEMICAL REVIEWS

Emerging Two-Dimensional Nanomaterials for Electrocatalysis

(2018) Huanyu Jin et al.   CHEMICAL REVIEWS

Dopant-induced electron localization drives CO2 reduction to C2 hydrocarbons

(2018) Yansong Zhou et al.   Nature Chemistry

Ambient ammonia synthesis via palladium-catalyzed electrohydrogenation of dinitrogen at low overpotential

(2018) Jun Wang et al.   Nature Communications

Anchoring PdCu Amorphous Nanocluster on Graphene for Electrochemical Reduction of N2 to NH3 under Ambient Conditions in Aqueous Solution

(2018) Miao-Miao Shi et al.   Advanced Energy Materials

Ambient Electrochemical Ammonia Synthesis with High Selectivity on Fe/Fe Oxide Catalyst

(2018) Lin Hu et al.   ACS Catalysis

Metal-Free Single Atom Catalyst for N2 Fixation Driven by Visible Light

(2018) Chongyi Ling et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Combining theory and experiment in electrocatalysis: Insights into materials design

(2017) Zhi Wei Seh et al.   SCIENCE

Electrochemical Reduction of N2under Ambient Conditions for Artificial N2Fixation and Renewable Energy Storage Using N2/NH3Cycle

(2016) Di Bao et al.   ADVANCED MATERIALS

Simultaneous electrocatalytic reduction of dinitrogen and carbon dioxide on conducting polymer electrodes

(2016) Didem Balun Kayan et al.   APPLIED CATALYSIS B-ENVIRONMENTAL

Metal-free carbonaceous electrocatalysts and photocatalysts for water splitting

(2016) You Xu et al.   CHEMICAL SOCIETY REVIEWS

Reaction Mechanisms for the Electrochemical Reduction of CO2 to CO and Formate on the Cu(100) Surface at 298 K from Quantum Mechanics Free Energy Calculations with Explicit Water

(2016) Tao Cheng et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

FeB6 Monolayers: The Graphene-like Material with Hypercoordinate Transition Metal

(2016) Haijun Zhang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Experimental realization of two-dimensional boron sheets

(2016) Baojie Feng et al.   Nature Chemistry

Four Decades of the Chemistry of Planar Hypercoordinate Compounds

(2015) Li-Ming Yang et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Metal-Free Catalysts for Oxygen Reduction Reaction

(2015) Liming Dai et al.   CHEMICAL REVIEWS

The Challenge of Electrochemical Ammonia Synthesis: A New Perspective on the Role of Nitrogen Scaling Relations

(2015) Joseph H. Montoya et al.   ChemSusChem

Synthesis of borophenes: Anisotropic, two-dimensional boron polymorphs

(2015) A. J. Mannix et al.   SCIENCE

First principles phonon calculations in materials science

(2015) Atsushi Togo et al.   SCRIPTA MATERIALIA

Electride support boosts nitrogen dissociation over ruthenium catalyst and shifts the bottleneck in ammonia synthesis

(2015) Masaaki Kitano et al.   Nature Communications

Implicit solvation model for density-functional study of nanocrystal surfaces and reaction pathways

(2014) Kiran Mathew et al.   JOURNAL OF CHEMICAL PHYSICS

Accuracy of exchange-correlation functionals and effect of solvation on the surface energy of copper

(2013) Matthew Fishman et al.   PHYSICAL REVIEW B

What Is the Maximum Coordination Number in a Planar Structure?

(2012) Thomas Heine et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

CALYPSO: A method for crystal structure prediction

(2012) Yanchao Wang et al.   COMPUTER PHYSICS COMMUNICATIONS

Ammonia synthesis using a stable electride as an electron donor and reversible hydrogen store

(2012) Masaaki Kitano et al.   Nature Chemistry

From greenhouse gas to feedstock: formation of ammonium carbamate from CO2 and NH3 in organic solvents and its catalytic conversion into urea under mild conditions

(2011) Francesco Barzagli et al.   GREEN CHEMISTRY

A theoretical evaluation of possible transition metal electro-catalysts for N2reduction

(2011) Egill Skúlason et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

(2010) Stefan Grimme et al.   JOURNAL OF CHEMICAL PHYSICS