Electrochemical reduction of N2 to ammonia on Co single atom embedded N-doped porous carbon under ambient conditions

2019 ◽  
Vol 7 (46) ◽  
pp. 26358-26363 ◽  
Author(s):  
Yanming Liu ◽  
Qi Xu ◽  
Xinfei Fan ◽  
Xie Quan ◽  
Yan Su ◽  
...  
Keyword(s):  
Electrochemical Reduction ◽  
Porous Carbon ◽  
Energy Efficient ◽  
Single Atom ◽  
High Yield ◽  
Ambient Conditions

Co single atom embedded N-doped porous carbon is energy efficient for electrochemical reduction of N2 to NH3 with a high yield.

Achieving a Record-High Yield Rate of 120.9 μgNH3  mgcat.−1  h−1 for N2 Electrochemical Reduction over Ru Single-Atom Catalysts

2018 ◽  
Vol 30 (40) ◽  
pp. 1803498 ◽  
Author(s):  
Zhigang Geng ◽  
Yan Liu ◽  
Xiangdong Kong ◽  
Pai Li ◽  
Kan Li ◽  
...  
Keyword(s):  
Electrochemical Reduction ◽  
Single Atom ◽  
High Yield ◽  
Yield Rate

Enabling electrochemical reduction of nitrogen to ammonia at ambient conditions through rational catalyst design

2015 ◽  
Vol 17 (7) ◽  
pp. 4909-4918 ◽  
Author(s):  
Younes Abghoui ◽  
Anna L. Garden ◽  
Valtýr Freyr Hlynsson ◽  
Snædís Björgvinsdóttir ◽  
Hrefna Ólafsdóttir ◽  
...  
Keyword(s):  
Transition Metal ◽  
Electrochemical Reduction ◽  
Catalyst Design ◽  
High Yield ◽  
Aqueous Electrolytes ◽  
Metal Nitrides ◽  
Ammonia Production ◽  
Transition Metal Nitrides ◽  
Ambient Conditions ◽  
Rational Catalyst Design

Investigation of transition metal nitrides reveals extremely promising electrocatalysts for high-yield ammonia production in aqueous electrolytes under ambient conditions.

Development of the ChIMES Force Field for Reactive Molecular Systems: Carbon Monoxide at Extreme Conditions

2019 ◽  
Author(s):  
Rebecca Lindsey ◽  
Nir Goldman ◽  
Laurence E. Fried ◽  
Sorin Bastea
Keyword(s):  
Carbon Monoxide ◽  
Molecular System ◽  
Interaction Model ◽  
System Size ◽  
Single Atom ◽  
Reactive System ◽  
Extreme Conditions ◽  
Ambient Conditions ◽  
Molecular Systems ◽  
Three Body

<p>The interatomic Chebyshev Interaction Model for Efficient Simulation (ChIMES) is based on linear combinations of Chebyshev polynomials describing explicit two- and three-body interactions. Recently, the ChIMES model has been developed and applied to a molten metallic system of a single atom type (carbon), as well as a non-reactive molecular system of two atom types at ambient conditions (water). Here, we continue application of ChIMES to increasingly complex problems through extension to a reactive system. Specifically, we develop a ChIMES model for carbon monoxide under extreme conditions, with built-in transferability to nearby state points. We demonstrate that the resulting model recovers much of the accuracy of DFT while exhibiting a 10<sup>4</sup>increase in efficiency, linear system size scalability and the ability to overcome the significant system size effects exhibited by DFT.</p>

Engineering Single Atom Catalysts to Tune Properties for Electrochemical Reduction and Evolution Reactions

2021 ◽  
pp. 2101670
Author(s):  
Kakali Maiti ◽  
Sandip Maiti ◽  
Matthew T. Curnan ◽  
Hyung Jun Kim ◽  
Jeong Woo Han
Keyword(s):  
Electrochemical Reduction ◽  
Single Atom

Design of Aligned Porous Carbon Films with Single‐Atom Co–N–C Sites for High‐Current‐Density Hydrogen Generation

2021 ◽  
pp. 2103533
Author(s):  
Rui Liu ◽  
Zhichao Gong ◽  
Jianbin Liu ◽  
Juncai Dong ◽  
Jiangwen Liao ◽  
...  
Keyword(s):  
Current Density ◽  
Porous Carbon ◽  
Hydrogen Generation ◽  
High Current Density ◽  
Carbon Films ◽  
Single Atom ◽  
High Current

Study of aerobic oxidation of phenyl PtII complexes (dpms)PtIIPh(L) (dpms = di(2-pyridyl)methanesulfonate; L = water, methanol, or aniline)

2009 ◽  
Vol 87 (1) ◽  
pp. 110-120 ◽  
Author(s):  
Julia R Khusnutdinova ◽  
Peter Y Zavalij ◽  
Andrei N Vedernikov
Keyword(s):  
Aqueous Solution ◽  
Aerobic Oxidation ◽  
Reductive Elimination ◽  
High Yield ◽  
Ambient Conditions ◽  
Activation Barriers ◽  
Methanol Solutions ◽  
Anionic Species ◽  
Mechanism Of Oxidation ◽  
Solution Mechanism

Oxidation of phenyl PtII complexes K[(dpms)PtIIPh2], 1, (dpms)PtIIPh(MeOH), 2, (dpms)PtIIPh(OH2), 3, and methyl PtII complex (dpms)PtIIMe(NH2Ph), 6, with O2 in aqueous or methanol solutions under ambient conditions leads to corresponding (dpms)PtIVR(X)OH complexes (R = X = Ph, 7; R = Ph, X = OH, 8; R = Ph, X = OMe, 9; R = Me, X = NHPh; 11; dpms = di(2-pyridyl)methanesulfonate). Complexes 7–9 could be isolated in high yield. Complex 11 as well as its phenyl analogue (dpms)PtIVPh(NHPh)OH, 10 can be prepared in high yield by oxidation of corresponding (dpms)PtIIR(NH2Ph) with H2O2 in methanol. Phenyl PtII complexes (dpms)PtIIPh(HX) derived from HX = aniline and DMSO, 4 and 5, respectively, are inert toward O2. The rate of oxidation of 1–5 with O2 decreases in the order 1 > 3 ~ 2 » 4, and 5 is unreactive. Methyl analogues are significantly more reactive compared with their phenyl counterparts. Proposed mechanism of oxidation with O2 includes formation of anionic species (dpms)PtIIR(X)– responsible for reaction with dioxygen. Attempts at C–O and C–N reductive elimination from phenyl PtIV complexes 7–10 do not lead to phenyl derivatives PhX at 80–100 °C, consistent with the results of the DFT estimates of corresponding activation barriers, ΔG0 exceeding 28 kcal/mol.Key words: platinum phenyl complexes, oxidation, dioxygen, aqueous solution, mechanism.

Preparation of CuO Nanopowder in Aqueous Solution by Applying Ultrasonic and its CO Gas Sensitivity

2007 ◽  
Vol 544-545 ◽  
pp. 901-904 ◽  
Author(s):  
Ji Bum Yang ◽  
Tae Gyung Ko ◽  
Sang Jin Jung ◽  
Jae Hee Oh
Keyword(s):  
Aqueous Solution ◽  
Gas Sensing ◽  
Spherical Shape ◽  
Particle Morphology ◽  
High Yield ◽  
Ambient Conditions ◽  
Gas Sensitivity ◽  
Molar Ratios ◽  
Naoh Solution ◽  
Co Gas

We report on a process in which CuO nanopowder was produced in a high yield by adopting ultrasonic in aqueous solution. In our experiment, CuCl2 solution was reacted with NaOH solution and NaNO2, at ambient conditions applying ultrasonic for 5 min. Precipitation was performed by varying the molar ratios of NaOH/CuCl2 and NaNO2/CuCl2. CuO nanoparticles of ~ 5 nm and spherical shape were obtained at the NaOH/CuCl2 of 2.0 and the NaNO2/CuCl2 of 0.097. Without ultrasonication, an amorphous phase was formed at these conditions. This indicates that sonochemical reaction facilitates direct formation of the nanosized CuO particles. In addition, the particle morphology varied from sphere through ellipsoid to needle forms depending on pH. In thick films prepared with the CuO powder for gas sensing, the maximum CO gas sensitivity reached 93 % at the temperature of 250 °C and depended linearly on CO concentration in log scale over the range of 10 ~ 104 ppm.

H2O-induced self-propagating synthesis of hierarchical porous carbon: a promising lithium storage material with superior rate capability and ultra-long cycling life

2017 ◽  
Vol 5 (34) ◽  
pp. 18221-18229 ◽  
Author(s):  
Chu Liang ◽  
Sheng Liang ◽  
Yang Xia ◽  
Yun Chen ◽  
Hui Huang ◽  
...  
Keyword(s):  
Energy Storage ◽  
Porous Carbon ◽  
Rate Capability ◽  
Environmentally Benign ◽  
High Yield ◽  
Hierarchical Porous Carbon ◽  
Storage Material ◽  
Lithium Storage ◽  
Hierarchical Porous ◽  
Cycling Life

An environmentally benign and high-yield route is developed to synthesize hierarchical porous carbon for high-density energy storage.

π-Adsorption Promoted Electrocatalytic Acetylene Semihydrogenation on Single-Atom Ni Dispersed N-doped Carbon

2021 ◽  
Author(s):  
Wenxiu Ma ◽  
Zhe Chen ◽  
Jun Bu ◽  
Zhenpeng Liu ◽  
Jinjin Li ◽  
...  
Keyword(s):  
Renewable Energy ◽  
Economic Efficiency ◽  
Single Atom ◽  
Grand Challenge ◽  
Ambient Conditions ◽  
Environmental Friendliness

In pursuit of environmental friendliness and high economic efficiency, renewable energy-driven selective acetylene semihydrogenation under ambient conditions is urgently requisite but remain a grand challenge. Herein, we explore single-atom nickel...

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