《物理化學(xué)學(xué)報(bào)》2018年第34卷1–12期索引

前言

ChemicalConceptsfromDensityFunctionalTheory ····································································································································LIUShubin,ZHANGXiaojuan(6)563

TowardAtomicallyPreciseNanoclustersandNanoparticles ··················································································································································JINRongchao(7)737

GreenChemistry ··································································································································································································HANBuxing(8)837

石墨炔：從合成到應(yīng)用·················································································································································································劉鳴華，李玉良(9)959

MolecularSimulationsinMaterialsScience ··············································································································································································SUNHuai(10)1095

苦樂(lè)七十年 ·········································································································································································································································李永舫(11)1189

表面物理化學(xué) ·········································································································································································································································吳凱(12)1299

亮點(diǎn)

兩維材料限域催化效應(yīng)及其對(duì)金屬表面催化反應(yīng)的調(diào)控······································································································································································胡培君(1)1

層狀 Au/α-MoC 負(fù)載催化劑催化低溫水煤氣變換反應(yīng)···············································································································································································吳凱(1)3

乳液界面聚合法制備拓?fù)浣Y(jié)構(gòu)和化學(xué)組成各向異性的 Janus 微球·······················································································································································劉鳴華(1)5

無(wú)定形納米鈣鈦礦薄膜：高活性析氧電催化劑······················································································································································································駱靜利(1)7

分子篩限域碳點(diǎn)實(shí)現(xiàn)超長(zhǎng)壽命熱活化延遲熒光······················································································································································································劉忠范(1)9

金屬有機(jī)框架離子交換得到的鎳單位點(diǎn)催化劑用于二氧化碳電催化還原····································································································································申文杰(2)113

選擇性電催化劑提升使用高濃度甲醇為燃料的 DMFCs 操作性能·····················································································································································莊林(2)115

超小釕原子簇負(fù)載 III-V 族氮化物納米線(xiàn)光催化固氮反應(yīng)··································································································································································吳凱(2)117

二氧化鈦表面光致空穴的轉(zhuǎn)移通道·····································································································································································································申文杰(2)119

非晶態(tài) ZnO 納米籠的顯著表面增強(qiáng)拉曼散射效應(yīng)···········································································································································································唐智勇(2)121

基于軸向耦合納米線(xiàn)異質(zhì)結(jié)實(shí)現(xiàn)雙色單模激光················································································································································································遲力峰(3)227

利用自組裝策略調(diào)控表面反應(yīng)動(dòng)力學(xué)································································································································································································遲力峰(3)229

脈沖充電提高鋰金屬電池穩(wěn)定性的關(guān)鍵分子機(jī)理············································································································································································韓布興(3)231

基于場(chǎng)效應(yīng)器件的外場(chǎng)催化調(diào)控研究····································································································································································································傅強(qiáng)(3)233

金屬有機(jī)框架在可見(jiàn)光驅(qū)動(dòng)下高效且性能可調(diào)地催化不對(duì)稱(chēng)反應(yīng)················································································································································張鐵銳(3)235

三元超細(xì) Pt-Mo-Ni納米線(xiàn)的設(shè)計(jì)合成及其電催化乙醇氧化性能··················································································································································劉忠范(4)323

離子液體為溶劑和模板劑合成多級(jí)孔金屬催化材料········································································································································································劉會(huì)貞(4)325

功能化離子液體吸收活化二氧化碳制取甲酸····················································································································································································韓布興(4)327

17O 固體核磁共振譜學(xué)區(qū)分不同晶面取向的氧化物納米晶·····························································································································································侯文華(4)329

石榴石氧化物化學(xué)修飾增強(qiáng)聚偏氟乙烯基固態(tài)電解質(zhì)········································································································································································谷林(4)331

TPE 核的螺旋手性·································································································································································································································劉鳴華(5)445

芘二酰亞胺：兼具高電子遷移率和雙光子熒光性能的有機(jī)半導(dǎo)體················································································································································劉忠范(5)447

基于 CsPb0.9Sn0.1IBr2的全無(wú)機(jī)鈣鈦礦太陽(yáng)能電池展示出效率和穩(wěn)定性的提升································································································丁黎明，程一兵，唐江(5)449

預(yù)組織與協(xié)同策略助力離子液體高效可逆捕集低濃度二氧化碳····················································································································································韓布興(5)451

二維金屬性 TaS2的大面積可控制備和超高電催化析氫效率···························································································································································楊金龍(5)453

五級(jí)謝爾賓斯基三角形的制備·············································································································································································································劉忠范(6)551

原子精確的金納米團(tuán)簇在催化中的配體效應(yīng)····················································································································································································劉鳴華(6)553

固溶體催化劑實(shí)現(xiàn) CO2高選擇性加氫合成甲醇················································································································································································韓布興(6)555

石墨烯增強(qiáng)鋰離子電池鋁箔集流體的抗腐蝕性····················································································································································································莊林(6)557

金屬納米顆粒中的單原子穿梭·················································································································································································································李杲(6)559

離子精確“裝訂”氧化石墨烯膜可用于離子篩分··············································································································································································劉忠范(7)731

金納米箭的可控生長(zhǎng)及其復(fù)雜超晶體的自組裝··················································································································································································劉鳴華(7)733

二維分子組裝的競(jìng)爭(zhēng)性手性誘導(dǎo)···············································································································································································································吳凱(7)735

全小分子非富勒烯有機(jī)太陽(yáng)電池效率突破 10%··············································································································································································劉忠范(11)1191

用于聚合物太陽(yáng)電池的低成本高效聚合物給體光伏材料······························································································································································劉忠范(11)1193

紫外光下高度穩(wěn)定的無(wú)機(jī)鈣鈦礦/有機(jī)疊層太陽(yáng)電池·····································································································································································劉忠范(11)1195

Au 單原子的制備及其在 CO 氧化反應(yīng)中荷電狀態(tài)的表征·································································································································································張濤(12)1302

Re(0001)上強(qiáng)界面相互作用誘導(dǎo)的石墨烯-碳化物新奇的轉(zhuǎn)變行為·················································································································································吳凱(12)1304

Au(110)面上烷烴 C―H 鍵活化的構(gòu)效關(guān)系研究·················································································································································································吳凱(12)1306

氧空位依賴(lài)的氯氧化鉍光催化反應(yīng)··································································································································································································楊金龍(12)1308

利用金屬有機(jī)框架鉚釘分子催化劑在氣液固界面上催化二氧化碳?xì)浠ぁぁぁぁぁぁぁぁぁぁぁぁぁぁぁぁぁぁぁぁぁぁぁぁぁぁぁぁぁぁぁぁぁぁぁぁぁぁぁぁぁぁぁぁぁぁぁぁぁぁぁぁぁぁぁぁぁぁぁぁぁぁぁぁぁぁぁぁぁぁぁぁぁぁぁぁぁぁぁぁぁぁぁぁぁぁぁぁぁぁぁぁぁぁぁぁぁぁぁぁぁぁぁぁぁぁぁぁぁぁぁぁぁぁぁぁぁぁぁぁぁぁぁぁぁぁぁぁぁぁぁぁぁろn布興(12)1310

當(dāng)期推薦

基于卟啉的新型近紅外非富勒烯電子受體分子················································································································································································劉忠范(4)333

Au/TiO2/MoS2等離子體復(fù)合光催化劑的制備及其增強(qiáng)光催化產(chǎn)氫活性·······································································································································劉忠范(4)335

染料敏化太陽(yáng)電池中染料的激發(fā)態(tài)超快動(dòng)力學(xué)················································································································································································劉忠范(4)337

ConstantTemperaturefromPhaseSpaceViewofEnsemblesofExcitedStates··························································································································LIUShubin(5)455

AnAlternativeApproachtoExtendLevyConstrainedSearchinFockSpacetoNoIntegerElectronNumberinDensityFunctionalTheory·····················································································································································································································································LIUShubin(6)561

通訊

(Fe1-xNix)ZrF6固溶體晶體結(jié)構(gòu)與可調(diào)控的熱膨脹性質(zhì)··································································································許家樂(lè)，胡磊，王璐，鄧金俠，陳駿，邢獻(xiàn)然(4)339

萘酰亞胺-卟啉星型電子受體分子的構(gòu)筑及其在非富勒烯太陽(yáng)能電池中的應(yīng)用············································周士超，馮貴濤，夏冬冬，李誠(chéng)，武永剛，李韋偉(4)344

鈣鈦礦 CH3NH3PbI3晶體的電化學(xué)·······················································································································································楊春和，唐愛(ài)偉，滕楓，蔣克健(11)1197

襯底對(duì) N@C60分子電子自旋共振譜的影響·········································································································································································趙燁梁，王兵(12)1312

展望

Perspective:ChemicalInformationEncodedinElectronDensity························································································CONTRERAS-GARCíAJulia,YANGWeitao(6)567

專(zhuān)論

單個(gè)等離子體納米顆粒在生化分析和生物成像中的應(yīng)用····························································································································································雷剛，何彥(1)11

基于苝二酰亞胺類(lèi)非富勒烯受體共混體系凝聚態(tài)結(jié)構(gòu)調(diào)控···································································································韓杰，梁秋菊，曲軼，劉劍剛，韓艷春(4)391

StructuralEvolutionPatternsofFCC-TypeGoldNanoclusters ················································································································HIGAKITatsuya,JINRongchao(7)755

基于非富勒烯受體的溶液加工型全小分子太陽(yáng)能電池研究進(jìn)展······································································································································何暢，侯劍輝(11)1202

綜述

層狀雙金屬氫氧化物/石墨烯復(fù)合材料及其在電化學(xué)能量存儲(chǔ)與轉(zhuǎn)換中的應(yīng)用··············································································································王海燕，石高全(1)22

ZnO 電極修飾層在鈣鈦礦太陽(yáng)能電池中的應(yīng)用···························································································································許利剛，邱偉，陳潤(rùn)鋒，張宏梅，黃維(1)36

功能化磁性納米粒子在乳狀液制備及破乳中的應(yīng)用及作用機(jī)制···········································································黃翔峰，劉婉琪，熊永嬌，彭開(kāi)銘，劉佳，陸麗君(1)49

納米技術(shù)在物理刺激誘導(dǎo)腫瘤治療中的應(yīng)用探索································································································································································宋雪嬌，劉莊(2)123

多功能納米材料在腫瘤放療增敏中的應(yīng)用····························································································································龔林吉，謝佳妮，朱雙，谷戰(zhàn)軍，趙宇亮(2)140

混合價(jià)態(tài) Eu(+2,+3)離子激活的單一組分發(fā)光材料：設(shè)計(jì)合成、發(fā)光性質(zhì)及機(jī)理························································································梁思思，尚蒙蒙，林君(3)237

核酸適體-納米材料復(fù)合物用于癌癥的診斷與靶向治療研究進(jìn)展·····················································································白華榮，范換換，張曉兵，陳卓，譚蔚泓(4)348

維度調(diào)控策略提升鉑基納米晶氧還原催化研究進(jìn)展·······························································································駱明川，孫英俊，秦英楠，楊勇，吳冬，郭少軍(4)361

鋰硫電池用石墨烯基材料的研究進(jìn)展········································································································································陳克，孫振華，方若翩，李峰，成會(huì)明(4)377

基于特殊潤(rùn)濕性材料的油水分離········································································································································李文濤，雍佳樂(lè)，楊青，陳烽，方瑤，侯洵(5)456

水系鈉離子電池電極材料研究進(jìn)展············································································································································劉雙，邵漣漪，張雪靜，陶占良，陳軍(6)581

維生素 E 的催化合成路線(xiàn)分析····································································································································································王哲，毛善俊，李浩然，王勇(6)598

多策略可控合成原子精度合金納米團(tuán)簇································································································································································鄭有坤，姜暉，王雪梅(7)740

綠色催化二氧化碳、炔丙醇和親核試劑的三組分反應(yīng)······································································································································周智華，夏書(shū)梅，何良年(8)838

二氧化碳和胺催化合成甲酰胺反應(yīng)研究··················································································································································張玉景，代興超，王紅利，石峰(8)845

二氧化碳多相催化加氫制 C2及以上烴類(lèi)和醇的研究進(jìn)展································································································高云楠，劉世楨，趙振清，陶亨聰，孫振宇(8)858

低共熔溶劑：一種應(yīng)用在混合物分離過(guò)程中的綠色溶劑··································································································································侯玉翠，么聰菲，吳衛(wèi)澤(8)873

石墨炔與錫烯層狀體系的形變勢(shì)和電聲耦合及載流子傳輸理論研究·············································································奚晉揚(yáng)，中村悠馬，趙天琦，王冬，帥志剛(9)961

石墨雙炔的合成方法··································································································································································································周勁媛，張錦，劉忠范(9)977

石墨炔的化學(xué)修飾及功能化··································································································································································································李勇軍，李玉良(9)992

石墨炔結(jié)構(gòu)表征及在光電催化反應(yīng)中的應(yīng)用··················································································································································盧秀利，韓瑩瑩，魯統(tǒng)部(9)1014

石墨炔在電化學(xué)儲(chǔ)能器件中的應(yīng)用······················································································································································神祥艷，何建江，王寧，黃長(zhǎng)水(9)1029

石墨二炔及其電子轉(zhuǎn)移增強(qiáng)特性····································································································································趙亞松，張麗娟，齊健，金泉，林凱峰，王丹(9)1048

導(dǎo)電高分子的最近進(jìn)展···················································································································································································································歐陽(yáng)建勇(11)1211

鈣鈦礦太陽(yáng)能電池中小分子空穴傳輸材料的研究進(jìn)展··········································································································································張婧，何有軍，閔杰(11)1221

氟化策略：高效有機(jī)光伏材料的設(shè)計(jì)與應(yīng)用······················································································································································鄧丹，周二軍，魏志祥(11)1239

基于碳量子點(diǎn)的光電器件應(yīng)用新進(jìn)展··································································································································賀平，袁方龍，王子飛，譚占鰲，范樓珍(11)1250

超高真空條件下堿基與金屬在 Au(111)表面的相互作用··························································王心怡，謝磊，丁元琪，姚心儀，張弛，孔惠慧，王利坤，許維(12)1321

原子層沉積：一種多相催化劑“自下而上”氣相制備新策略······································································································································王恒偉，路軍嶺(12)1334

論文

水-環(huán)己酮-甲基異丁基酮液液相平衡數(shù)據(jù)的測(cè)定與關(guān)聯(lián)·················································································································崔鵬，劉海，于雪敏，夏青，李青松(1)65

不同條件下離體大鼠肝臟線(xiàn)粒體能量代謝微量熱分析···································································································袁蓮，劉玉嬌，何歡，蔣風(fēng)雷，李會(huì)榮，劉義(1)73

QuantifyingElectronicEffectsinQMandQM/MMBiomolecularModelingwiththeFukuiFunction··················································································································································································QIHelenaW.,KARELINAMaria,KULIKHeatherJ.(1)81

微波法制備納米碳點(diǎn)反應(yīng)機(jī)制與發(fā)光機(jī)理···········································································劉金龍，林亮珍，胡錦鳳，白明潔，陳良賢，魏俊俊，黑立富，李成明(1)92

功能化離子液體修飾多壁碳納米管固定化 CandidaantarcticlipaseB···································································································相欣然，萬(wàn)曉梅，索紅波，胡燚(1)99

富鉀正長(zhǎng)巖水熱分解生成沸石反應(yīng)熱力學(xué)····························································································································································劉昶江，馬鴻文，張盼(2)168

基于氨基與表面乙烯砜基反應(yīng)動(dòng)力學(xué)調(diào)控配基表面密度·······················································································································程昉，李明洋，何煒，王漢奇(2)177

聚乙烯亞胺對(duì)人血清白蛋白的構(gòu)象和結(jié)合能力的影響···········································································································韋邦幟，郭志勇，王帆，黃愛(ài)民，馬林(2)185

用恒溫?zé)嶂胤y(cè)定 1-己基-3-甲基咪唑蘇氨酸離子液體[C6mim][Thr]蒸汽壓和蒸發(fā)焓···························································佟靜，屈曄，井立強(qiáng)，劉璐，劉春輝(2)194

BondingandReactivityinRB-AsRSystems(R=H,F,OH,CH3,CMe3,CF3,SiF3,BO):SubstituentEffects····································································································································································································GHARAManas,CHATTARAJPratimK.(2)201

EffectofPressureonCesiumIodideBandGap··································································································································CEDILLOAndrés,CORTONAPietro(2)208

雙(三氟甲基磺酰)亞胺鈉基聚合物電解質(zhì)在固態(tài)鈉電池中的性能········································································馬強(qiáng)，胡勇勝，李泓，陳立泉，黃學(xué)杰，周志彬(2)213

碳布負(fù)載的缺氧型Na2Ti3O7納米帶陣列作為高性能柔性鈉離子電池負(fù)極材料············································································································································張熙悅，黃雅蘭，吳樹(shù)煒，曾銀香，于明浩，程發(fā)良，盧錫洪，童葉翔(2)219

等離子體引發(fā) CH3OH/NH3偶聯(lián)反應(yīng)合成腈類(lèi)化合物·························································································易顏輝，王旬旬，王麗，閆金輝，張家良，郭洪臣(3)247

符合獨(dú)立五元環(huán)規(guī)則的 C100(417)Cl28形成機(jī)理的密度泛函理論研究································································································································尹凡華，譚凱(3)256

FukuiFunctionsfortheTemporaryAnionResonanceStatesofBe-,Mg-,andCa-·······························································································MORRISONRobertC.(3)263

Keggin型多酸負(fù)載的單原子催化劑(M1/POM,M=Ni,Pd,Pt,Cu,Ag,Au,POM=[PW12O40]3-)活化氮?dú)夥肿拥拿芏确汉碚撚?jì)算研究·····························································································································································································································尹玥琪，蔣夢(mèng)緒，劉春光(3)270

StrengthofIntramolecularHydrogenBonds·······································································································································JIANGXiaoyu,WUWei,MOYirong(3)278

嵌入配位不飽和金屬位對(duì)多孔芳香骨架材料儲(chǔ)氫性能的影響·······························································································吳選軍，李磊，彭亮，王葉彤，蔡衛(wèi)權(quán)(3)286

類(lèi)單晶硅結(jié)構(gòu) Si(C≡C―C6H4―C≡C)4新材料的力學(xué)與光學(xué)性質(zhì)：第一性原理研究·······································································方磊，孫銘駿，曹昕睿，曹澤星(3)296

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WhichInformationTheoreticQuantityShouldWeChooseforStericAnalysisofWaterNanoclusters(H2O)n(n=6,32,64)?········································································································································································································································ALIPOURMojtaba(4)407

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含不同雜原子共軛單元的有機(jī)光敏染料的超快發(fā)光動(dòng)力學(xué)···················································································································劉嬌，霍繼存，張敏，董獻(xiàn)堆(4)424

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PhaseSpaceViewofEnsemblesofExcitedStates ··································································································································································NAGY ágnes(5)492

自然軌道福井函數(shù)和成鍵活性描述符應(yīng)用于解釋苯硫醌和1,3-二烯的[2+4]和[4+2]環(huán)加成反應(yīng)中的成鍵機(jī)理····················································································································································································閆超咸，楊帆，吳睿智，周大剛，楊興，周盼盼(5)497

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GeneralizedHirshfeldPartitioningwithOrientedandPromotedProatoms ···········································································HEIDAR-ZADEHFarnaz,AYERSPaulW.(5)514

Fukui函數(shù)和局域軟度應(yīng)用于親電加成反應(yīng)的區(qū)位選擇性的研究································································朱尊偉，楊巧鳳，徐珍珍，趙東霞，樊紅軍，楊忠志(5)519

ChemicalBondingandInterpretationofTime-DependentElectronicProcesseswithMaximumProbabilityDomains ···················································SAVINAndreas(5)528

AdsorptionofHydrazoicAcidonPristineGraphyneSheet:AComputationalStudy······························································································································································DEBJyotirmoy,PAULDebolina,PEGUDavid,SARKARUtpal(5)537

兒茶素-稀土配合物的合成、表征及抗菌活性······························································································································余康，田翠翠，李霞，廖學(xué)品，石碧(5)543

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LevyConstrainedSearchinFockSpace:AnAlternativeApproachtoNonintegerElectronNumber ··························································AYERSPaulW.,LEVYMel(6)625

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運(yùn)用密度泛函活性理論的信息論方法研究苯并富烯衍生物的芳香性······························································余東海，榮春英，盧天，DEPROFTFrank，劉述斌(6)639

TheInfluenceoftheExchange-CorrelationFunctionalontheNon-InteractingKineticEnergyandItsImplicationsforOrbital-FreeDensityFunctional Approximations·····················································································································································································FINZELKati,BULTINCKPatrick(6)650

Kohn-ShamDensityMatrixandtheKernelEnergyMethod·················································································································POLKOSNIKWalter,MASSALou(6)656

QuantitativeElectrophilicityMeasures···········································································GONZáLEZMarcoMartínez,CáRDENASCarlos,RODRíGUEZJuanI.,LIUShubin,

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ThermodynamicDualDescriptor ··················································································FRANCO-PéREZMarco,GáZQUEZJoséL.,AYERSPaulW.,VELAAlberto(6)683

ReactivityofIndolesthroughtheEyesofaCharge-TransferPartitioningAnalysis···························································································································································OROZCO-VALENCIAUlises,GáZQUEZJoséL.,VELAAlberto(6)692

AnalogiesbetweenDensityFunctionalTheoryResponseKernelsandDerivativesofThermodynamicStateFunctions·······················································································································································································GEERLINGSPaul,DEPROFTFrank,FIASStijn(6)699

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離子液體BmmimOAc催化2-芳氨基乙醇與二硫化碳一步縮合合成3-芳基-2-噻唑硫酮··············································································································································································陳必華，ELAGEEDElnazeerH.M.，張永亞，高國(guó)華(8)952

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