英国皇家化学会主编推荐：能源领域精彩文章快览

英国皇家化学会（RSC）是一个拥有超过175年历史的面向全球化学家的非营利会员制机构，旗下拥有43种期刊，其中很多在化学领域有很高影响力。

Chemical Science (IF: 8.668)

1. Active learning with non-ab initio input features toward efficient CO₂ reduction catalysts

Chem. Sci., 2018, Advance Article

DOI: 10.1039/C7SC03422A

South Korean researchers report a machine learning model to predict the binding energy of surface adsorbates on alloys using non-ab initio calculations, for identifying CO₂ reduction catalysts. The group used linear muffin-tin orbital theory-based d-band width and electronegativity as descriptors, and combined these with active learning methods. For 263 alloy systems, the CO adsorption energy on the (100) facet was predicted with a mean absolute deviation error of 0.05 eV. Its practical application was demonstrated, and a CO₂ reduction catalyst identified that produced CO with an overpotential 1 V lower than Au.

韩国的研究人员报道了一种机器学习模型，使用非从头（non-ab initio）计算方法用于预测合金表面吸附物的结合能，并以此鉴别CO₂还原催化剂。该研究小组以基于LMTO（linear muffin-tin orbital）理论的d带宽和电负性作为描述符，并将其与主动学习方法相结合。他们预测了263个合金体系（100）面上的CO吸附能，平均绝对偏差为0.05 eV。该方法的实际应用也得到了证明，研究小组发现了一种CO₂还原催化剂，产生CO的过电位比Au低1 V。

2. Trapping [PMo₁₂O₄₀]^3- clusters into pre-synthesized ZIF-67 toward Mo_xCo_xC particles confined in uniform carbon polyhedrons for efficient overall water splitting

Chem. Sci., 2018, 9, 4746-4755

DOI: 10.1039/C8SC01454J

Scientists in China have synthesized small bi-transition metal carbides (BTMCs) for water splitting. [PMo₁₂O₄₀]^3- clusters were trapped into pre-synthesized uniform ZIF-67, by opening ZIF-67 cage windows through heating. The size matching of PMo₁₂ (1 nm) and the cages (1.16 nm) enabled effective contact of the Mo and Co sources. These catalysts exhibited good performance for water splitting with an overpotential of 83 mV and 295 mV for the hydrogen and oxygen evolution reactions, respectively. This trapping route may be used for poly-oxometalates and MOFs that cannot be combined via POMOF-based routes.

黑龙江大学的研究人员合成了用于高效全分解水的小型双过渡金属碳化物（BTMC）。先合成均匀的ZIF-67，再通过加热打开ZIF-67笼并捕获[PMo₁₂O₄₀]^3-簇。PMo₁₂（1 nm）和笼（1.16 nm）的尺寸匹配，使得Mo和Co源能够有效接触。这些催化剂表现出良好的水分解性能，对于析氢和析氧反应的过电位分别为83 mV和295 mV。该捕获方法可用于不能通过基于POMOF路线结合的多金属氧酸盐和MOF。本文作为 Chemical Science 当期的封底文章发表。

Energy & Environmental Science (IF: 29.518)

1. Light-permeable, photoluminescent microbatteries embedded in the color filter of a screen

Energy Environ. Sci., 2018, Advance Article

DOI: 10.1039/C8EE00590G

The battery and the screen are the two components occupying the largest volume in many electronic devices. Integrating them together will eventually engender a great reduction of device size. This study demonstrates a promising strategy towards ultimate-compact electronic devices.

电池和屏幕是许多电子设备中体积最大的两个组件，将两者合二为一就能大大缩小设备的体积。本研究为超级紧凑型电子设备的设计提供了一种有前景的策略。

2. Upgrading the value of anaerobic digestion via chemical production from grid injected biomethane

Energy Environ. Sci., 2018, Advance Article

DOI: 10.1039/C8EE01059E

Here the authors explore, both technically and economically, an alternative scenario where biogas is upgraded to biomethane, injected into the existing gas grid, and used elsewhere to produce CO, syngas or H₂.

在本文中作者们从技术和经济两个方面探索了将沼气转化升级为生物甲烷的替代方案，将其注入到现有的气体供应网络中，并在其他地点生产CO、合成气或H₂。

3. A porphyrin covalent organic framework cathode for flexible Zn–air batteries

Energy Environ. Sci., 2018, Advance Article

DOI: 10.1039/C8EE00977E

The work demonstrates versatile and ingenious strategies for the multiscale regulation of advanced materials for energy electrocatalysis and thereby facilitates their applications in flexible and safe energy storage and conversion.

该工作展示了多用途的巧妙策略用于多尺度调节能量电催化的先进材料，从而促进了它们在柔性、安全的能量存储和转换中的应用。

Sustainable Energy & Fuels (IF pending)

1. Ultrasound-Assisted Synthesis of Pt-Co/C Bimetallic Alloys for Oxygen Reduction in PEM Fuel Cells

Sustainable Energy Fuels, 2018, Advance Article

DOI: 10.1039/C8SE00100F

Carbon-supported Pt–Co (Pt–Co/C) nanoparticles of varying composition were synthesized using a sonochemical technique in the presence of PVP as a stabilizing agent.

以PVP作为稳定剂，本文使用了超声化学技术合成了具有不同组分的碳负载Pt-Co（Pt-Co/C）纳米颗粒。

2. The quest for manganese-rich electrodes for lithium batteries: strategic design and electrochemical behavior

Sustainable Energy Fuels, 2018, Advance Article

DOI: 10.1039/C8SE00157J

This paper provides an overview of the historical development of manganese-based oxide electrode materials and structures, leading to advanced systems for lithium-ion battery technology; it updates a twenty-year old review of manganese oxides for lithium batteries.

本文概述了锰基氧化物电极材料及其结构的历史发展，它们为锂离子电池技术提供了先进的系统，并回顾了锂电池锰氧化物二十年的发展进程。